Exact Mass: 445.2026266
Exact Mass Matches: 445.2026266
Found 500 metabolites which its exact mass value is equals to given mass value 445.2026266
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
tridihexethyl iodide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
cerdulatinib
C20H27N7O3S (445.1895992000001)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Tak-593
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
N-Oxide abiraterone sulfate
C24H31NO5S (445.19228360000005)
N-Oxide abiraterone sulfate is a metabolite of abiraterone. Abiraterone is a drug used in castration-resistant prostate cancer (formerly hormone-resistant or hormone-refractory prostate cancer) (prostate cancer not responding to androgen deprivation or treatment with antiandrogens). It is formulated as the prodrug abiraterone acetate and marketed under the trade name Zytiga. After an expedited six-month review, abiraterone was approved by the U.S. Food and Drug Administration (FDA) in April 2011. (Wikipedia)
P-Hydroxyhippuryl-his-leu-OH
C21H27N5O6 (445.19612420000004)
Docusate sodium
C20H38NaO7S (445.22358180000003)
Anionic surfactant used as wetting/dispersing/emulsifying agent in food processing. Hog/poultry scald agent. It is used in cheeses, salad dressings, cocoa and dairy products. Docusate sodium is found in cocoa and cocoa products, milk and milk products, and herbs and spices.
Ala Ile Asn Glu
Ile Ala Gln Asp
Ala Val Gln Glu
Asn Ile Ala Glu
Ala Cys Pro Arg
C17H31N7O5S (445.21072760000004)
Ala Cys Arg Pro
C17H31N7O5S (445.21072760000004)
Ala Asp Ile Gln
Ala Asp Leu Gln
Ala Asp Gln Ile
Ala Asp Gln Leu
Ala Glu Ile Asn
Ala Glu Leu Asn
Ala Glu Asn Ile
Ala Glu Asn Leu
Ala Glu Gln Val
Ala Glu Val Gln
Ala Ile Asp Gln
Ala Ile Glu Asn
Ala Ile Gln Asp
Ala Leu Asp Gln
Ala Leu Glu Asn
Ala Leu Asn Glu
Ala Leu Gln Asp
Ala Met Pro Gln
C18H31N5O6S (445.19949460000004)
Ala Met Gln Pro
C18H31N5O6S (445.19949460000004)
Ala Asn Glu Ile
Ala Asn Glu Leu
Ala Asn Ile Glu
Ala Asn Leu Glu
Ala Asn Asn Gln
C16H27N7O8 (445.19210219999997)
Ala Asn Gln Asn
C16H27N7O8 (445.19210219999997)
Ala Pro Cys Arg
C17H31N7O5S (445.21072760000004)
Ala Pro Met Gln
C18H31N5O6S (445.19949460000004)
Ala Pro Gln Met
C18H31N5O6S (445.19949460000004)
Ala Pro Arg Cys
C17H31N7O5S (445.21072760000004)
Ala Gln Asp Ile
Ala Gln Asp Leu
Ala Gln Glu Val
Ala Gln Ile Asp
Ala Gln Leu Asp
Ala Gln Met Pro
C18H31N5O6S (445.19949460000004)
Ala Gln Asn Asn
C16H27N7O8 (445.19210219999997)
Ala Gln Pro Met
C18H31N5O6S (445.19949460000004)
Ala Gln Val Glu
Ala Arg Cys Pro
C17H31N7O5S (445.21072760000004)
Ala Arg Pro Cys
C17H31N7O5S (445.21072760000004)
Ala Val Glu Gln
Cys Ala Pro Arg
C17H31N7O5S (445.21072760000004)
Cys Ala Arg Pro
C17H31N7O5S (445.21072760000004)
Cys Ile Asn Pro
C18H31N5O6S (445.19949460000004)
Cys Ile Pro Asn
C18H31N5O6S (445.19949460000004)
Cys Leu Asn Pro
C18H31N5O6S (445.19949460000004)
Cys Leu Pro Asn
C18H31N5O6S (445.19949460000004)
Cys Asn Ile Pro
C18H31N5O6S (445.19949460000004)
Cys Asn Leu Pro
C18H31N5O6S (445.19949460000004)
Cys Asn Pro Ile
C18H31N5O6S (445.19949460000004)
Cys Asn Pro Leu
C18H31N5O6S (445.19949460000004)
Cys Pro Ala Arg
C17H31N7O5S (445.21072760000004)
Cys Pro Ile Asn
C18H31N5O6S (445.19949460000004)
Cys Pro Leu Asn
C18H31N5O6S (445.19949460000004)
Cys Pro Asn Ile
C18H31N5O6S (445.19949460000004)
Cys Pro Asn Leu
C18H31N5O6S (445.19949460000004)
Cys Pro Gln Val
C18H31N5O6S (445.19949460000004)
Cys Pro Arg Ala
C17H31N7O5S (445.21072760000004)
Cys Pro Val Gln
C18H31N5O6S (445.19949460000004)
Cys Gln Pro Val
C18H31N5O6S (445.19949460000004)
Cys Gln Val Pro
C18H31N5O6S (445.19949460000004)
Cys Arg Ala Pro
C17H31N7O5S (445.21072760000004)
Cys Arg Pro Ala
C17H31N7O5S (445.21072760000004)
Cys Val Pro Gln
C18H31N5O6S (445.19949460000004)
Cys Val Gln Pro
C18H31N5O6S (445.19949460000004)
Asp Ala Ile Gln
Asp Ala Leu Gln
Asp Ala Gln Ile
Asp Ala Gln Leu
Asp Ile Ala Gln
Asp Ile Gln Ala
Asp Lys Pro Ser
Asp Lys Ser Pro
Asp Leu Ala Gln
Asp Leu Gln Ala
Asp Asn Pro Thr
C17H27N5O9 (445.18086919999996)
Asp Asn Thr Pro
C17H27N5O9 (445.18086919999996)
Asp Asn Val Val
Asp Pro Lys Ser
Asp Pro Asn Thr
C17H27N5O9 (445.18086919999996)
Asp Pro Gln Ser
C17H27N5O9 (445.18086919999996)
Asp Pro Ser Lys
Asp Pro Ser Gln
C17H27N5O9 (445.18086919999996)
Asp Pro Thr Asn
C17H27N5O9 (445.18086919999996)
Asp Gln Ala Ile
Asp Gln Ala Leu
Asp Gln Ile Ala
Asp Gln Leu Ala
Asp Gln Pro Ser
C17H27N5O9 (445.18086919999996)
Asp Ser Lys Pro
Asp Ser Pro Lys
Asp Val Asn Val
Asp Val Val Asn
Glu Ala Ile Asn
Glu Ala Leu Asn
Glu Ala Asn Ile
Glu Ala Asn Leu
Glu Ala Gln Val
Glu Ala Val Gln
Glu Gly Ile Gln
Glu Gly Leu Gln
Glu Gly Gln Ile
Glu Gly Gln Leu
Glu Ile Ala Asn
Glu Ile Gly Gln
Glu Ile Asn Ala
Glu Ile Gln Gly
Glu Leu Ala Asn
Glu Leu Gly Gln
Glu Leu Asn Ala
Glu Leu Gln Gly
Glu Asn Ala Ile
Glu Asn Ala Leu
Glu Asn Ile Ala
Glu Asn Leu Ala
Glu Gln Ala Val
Glu Gln Gly Ile
Glu Gln Gly Leu
Glu Gln Ile Gly
Glu Gln Leu Gly
Glu Gln Val Ala
Glu Val Ala Gln
Glu Val Gln Ala
Gly Glu Ile Gln
Gly Glu Leu Gln
Gly Glu Gln Ile
Gly Glu Gln Leu
Gly Ile Glu Gln
Gly Ile Gln Glu
Gly Leu Glu Gln
Gly Leu Gln Glu
Gly Asn Gln Gln
C16H27N7O8 (445.19210219999997)
Gly Pro Ser Trp
C21H27N5O6 (445.19612420000004)
Gly Pro Trp Ser
C21H27N5O6 (445.19612420000004)
Gly Gln Glu Ile
Gly Gln Glu Leu
Gly Gln Ile Glu
Gly Gln Leu Glu
Gly Gln Asn Gln
C16H27N7O8 (445.19210219999997)
Gly Gln Gln Asn
C16H27N7O8 (445.19210219999997)
Gly Ser Pro Trp
C21H27N5O6 (445.19612420000004)
Gly Ser Trp Pro
C21H27N5O6 (445.19612420000004)
Gly Trp Pro Ser
C21H27N5O6 (445.19612420000004)
Gly Trp Ser Pro
C21H27N5O6 (445.19612420000004)
Ile Ala Asp Gln
Ile Ala Glu Asn
Ile Ala Asn Glu
Ile Cys Asn Pro
C18H31N5O6S (445.19949460000004)
Ile Cys Pro Asn
C18H31N5O6S (445.19949460000004)
Ile Asp Ala Gln
Ile Asp Gln Ala
Ile Glu Ala Asn
Ile Glu Gly Gln
Ile Glu Asn Ala
Ile Glu Gln Gly
Ile Gly Glu Gln
Ile Gly Gln Glu
Ile Asn Ala Glu
Ile Asn Cys Pro
C18H31N5O6S (445.19949460000004)
Ile Asn Glu Ala
Ile Asn Pro Cys
C18H31N5O6S (445.19949460000004)
Ile Pro Cys Asn
C18H31N5O6S (445.19949460000004)
Ile Pro Asn Cys
C18H31N5O6S (445.19949460000004)
Ile Gln Ala Asp
Ile Gln Asp Ala
Ile Gln Glu Gly
Ile Gln Gly Glu
Lys Asp Pro Ser
Lys Asp Ser Pro
Lys Pro Asp Ser
Lys Pro Ser Asp
Lys Ser Asp Pro
Lys Ser Pro Asp
Leu Ala Asp Gln
Leu Ala Glu Asn
Leu Ala Asn Glu
Leu Ala Gln Asp
Leu Cys Asn Pro
C18H31N5O6S (445.19949460000004)
Leu Cys Pro Asn
C18H31N5O6S (445.19949460000004)
Leu Asp Ala Gln
Leu Asp Gln Ala
Leu Glu Ala Asn
Leu Glu Gly Gln
Leu Glu Asn Ala
Leu Glu Gln Gly
Leu Gly Glu Gln
Leu Gly Gln Glu
Leu Asn Ala Glu
Leu Asn Cys Pro
C18H31N5O6S (445.19949460000004)
Leu Asn Glu Ala
Leu Asn Pro Cys
C18H31N5O6S (445.19949460000004)
Leu Pro Cys Asn
C18H31N5O6S (445.19949460000004)
Leu Pro Asn Cys
C18H31N5O6S (445.19949460000004)
Leu Gln Ala Asp
Leu Gln Asp Ala
Leu Gln Glu Gly
Leu Gln Gly Glu
Met Ala Pro Gln
C18H31N5O6S (445.19949460000004)
Met Ala Gln Pro
C18H31N5O6S (445.19949460000004)
Met Pro Ala Gln
C18H31N5O6S (445.19949460000004)
Met Pro Gln Ala
C18H31N5O6S (445.19949460000004)
Met Gln Ala Pro
C18H31N5O6S (445.19949460000004)
Met Gln Pro Ala
C18H31N5O6S (445.19949460000004)
Asn Ala Glu Ile
Asn Ala Glu Leu
Asn Ala Ile Glu
Asn Ala Leu Glu
Asn Ala Asn Gln
C16H27N7O8 (445.19210219999997)
Asn Ala Gln Asn
C16H27N7O8 (445.19210219999997)
Asn Cys Ile Pro
C18H31N5O6S (445.19949460000004)
Asn Cys Leu Pro
C18H31N5O6S (445.19949460000004)
Asn Cys Pro Ile
C18H31N5O6S (445.19949460000004)
Asn Cys Pro Leu
C18H31N5O6S (445.19949460000004)
Asn Asp Val Val
Asn Glu Ala Ile
Asn Glu Ala Leu
Asn Glu Ile Ala
Asn Glu Leu Ala
Asn Gly Gln Gln
C16H27N7O8 (445.19210219999997)
Asn Ile Cys Pro
C18H31N5O6S (445.19949460000004)
Asn Ile Glu Ala
Asn Ile Pro Cys
C18H31N5O6S (445.19949460000004)
Asn Leu Ala Glu
Asn Leu Cys Pro
C18H31N5O6S (445.19949460000004)
Asn Leu Glu Ala
Asn Leu Pro Cys
C18H31N5O6S (445.19949460000004)
Asn Asn Ala Gln
C16H27N7O8 (445.19210219999997)
Asn Asn Gln Ala
C16H27N7O8 (445.19210219999997)
Asn Pro Cys Ile
C18H31N5O6S (445.19949460000004)
Asn Pro Cys Leu
C18H31N5O6S (445.19949460000004)
Asn Pro Ile Cys
C18H31N5O6S (445.19949460000004)
Asn Pro Leu Cys
C18H31N5O6S (445.19949460000004)
Asn Gln Ala Asn
C16H27N7O8 (445.19210219999997)
Asn Gln Gly Gln
C16H27N7O8 (445.19210219999997)
Asn Gln Asn Ala
C16H27N7O8 (445.19210219999997)
Asn Gln Gln Gly
C16H27N7O8 (445.19210219999997)
Asn Val Asp Val
Asn Val Val Asp
Pro Ala Cys Arg
C17H31N7O5S (445.21072760000004)
Pro Ala Met Gln
C18H31N5O6S (445.19949460000004)
Pro Ala Gln Met
C18H31N5O6S (445.19949460000004)
Pro Ala Arg Cys
C17H31N7O5S (445.21072760000004)
Pro Cys Ala Arg
C17H31N7O5S (445.21072760000004)
Pro Cys Ile Asn
C18H31N5O6S (445.19949460000004)
Pro Cys Leu Asn
C18H31N5O6S (445.19949460000004)
Pro Cys Asn Ile
C18H31N5O6S (445.19949460000004)
Pro Cys Asn Leu
C18H31N5O6S (445.19949460000004)
Pro Cys Gln Val
C18H31N5O6S (445.19949460000004)
Pro Cys Arg Ala
C17H31N7O5S (445.21072760000004)
Pro Cys Val Gln
C18H31N5O6S (445.19949460000004)
Pro Asp Lys Ser
Pro Asp Ser Lys
Pro Gly Ser Trp
C21H27N5O6 (445.19612420000004)
Pro Gly Trp Ser
C21H27N5O6 (445.19612420000004)
Pro Ile Cys Asn
C18H31N5O6S (445.19949460000004)
Pro Ile Asn Cys
C18H31N5O6S (445.19949460000004)
Pro Lys Asp Ser
Pro Lys Ser Asp
Pro Leu Cys Asn
C18H31N5O6S (445.19949460000004)
Pro Leu Asn Cys
C18H31N5O6S (445.19949460000004)
Pro Met Ala Gln
C18H31N5O6S (445.19949460000004)
Pro Met Gln Ala
C18H31N5O6S (445.19949460000004)
Pro Asn Cys Ile
C18H31N5O6S (445.19949460000004)
Pro Asn Cys Leu
C18H31N5O6S (445.19949460000004)
Pro Asn Ile Cys
C18H31N5O6S (445.19949460000004)
Pro Asn Leu Cys
C18H31N5O6S (445.19949460000004)
Pro Gln Ala Met
C18H31N5O6S (445.19949460000004)
Pro Gln Cys Val
C18H31N5O6S (445.19949460000004)
Pro Gln Met Ala
C18H31N5O6S (445.19949460000004)
Pro Gln Thr Thr
Pro Gln Val Cys
C18H31N5O6S (445.19949460000004)
Pro Arg Ala Cys
C17H31N7O5S (445.21072760000004)
Pro Arg Cys Ala
C17H31N7O5S (445.21072760000004)
Pro Ser Asp Lys
Pro Ser Gly Trp
C21H27N5O6 (445.19612420000004)
Pro Ser Lys Asp
Pro Ser Trp Gly
C21H27N5O6 (445.19612420000004)
Pro Thr Gln Thr
Pro Thr Thr Gln
Pro Val Cys Gln
C18H31N5O6S (445.19949460000004)
Pro Val Gln Cys
C18H31N5O6S (445.19949460000004)
Pro Trp Gly Ser
C21H27N5O6 (445.19612420000004)
Pro Trp Ser Gly
C21H27N5O6 (445.19612420000004)
Gln Ala Asp Ile
Gln Ala Asp Leu
Gln Ala Glu Val
Gln Ala Ile Asp
Gln Ala Leu Asp
Gln Ala Met Pro
C18H31N5O6S (445.19949460000004)
Gln Ala Asn Asn
C16H27N7O8 (445.19210219999997)
Gln Ala Pro Met
C18H31N5O6S (445.19949460000004)
Gln Ala Val Glu
Gln Cys Pro Val
C18H31N5O6S (445.19949460000004)
Gln Cys Val Pro
C18H31N5O6S (445.19949460000004)
Gln Asp Ala Ile
Gln Asp Ala Leu
Gln Asp Ile Ala
Gln Asp Leu Ala
Gln Glu Ala Val
Gln Glu Gly Ile
Gln Glu Gly Leu
Gln Glu Ile Gly
Gln Glu Leu Gly
Gln Glu Val Ala
Gln Gly Glu Ile
Gln Gly Glu Leu
Gln Gly Ile Glu
Gln Gly Leu Glu
Gln Gly Asn Gln
C16H27N7O8 (445.19210219999997)
Gln Gly Gln Asn
C16H27N7O8 (445.19210219999997)
Gln Ile Ala Asp
Gln Ile Asp Ala
Gln Ile Glu Gly
Gln Ile Gly Glu
Gln Leu Ala Asp
Gln Leu Asp Ala
Gln Leu Glu Gly
Gln Leu Gly Glu
Gln Met Ala Pro
C18H31N5O6S (445.19949460000004)
Gln Met Pro Ala
C18H31N5O6S (445.19949460000004)
Gln Asn Ala Asn
C16H27N7O8 (445.19210219999997)
Gln Asn Gly Gln
C16H27N7O8 (445.19210219999997)
Gln Asn Asn Ala
C16H27N7O8 (445.19210219999997)
Gln Asn Gln Gly
C16H27N7O8 (445.19210219999997)
Gln Pro Ala Met
C18H31N5O6S (445.19949460000004)
Gln Pro Cys Val
C18H31N5O6S (445.19949460000004)
Gln Pro Met Ala
C18H31N5O6S (445.19949460000004)
Gln Pro Thr Thr
Gln Pro Val Cys
C18H31N5O6S (445.19949460000004)
Gln Gln Gly Asn
C16H27N7O8 (445.19210219999997)
Gln Gln Asn Gly
C16H27N7O8 (445.19210219999997)
Gln Thr Pro Thr
Gln Thr Thr Pro
Gln Val Ala Glu
Gln Val Cys Pro
C18H31N5O6S (445.19949460000004)
Gln Val Glu Ala
Gln Val Pro Cys
C18H31N5O6S (445.19949460000004)
Arg Ala Cys Pro
C17H31N7O5S (445.21072760000004)
Arg Ala Pro Cys
C17H31N7O5S (445.21072760000004)
Arg Cys Ala Pro
C17H31N7O5S (445.21072760000004)
Arg Cys Pro Ala
C17H31N7O5S (445.21072760000004)
Arg Pro Ala Cys
C17H31N7O5S (445.21072760000004)
Arg Pro Cys Ala
C17H31N7O5S (445.21072760000004)
Ser Asp Lys Pro
Ser Asp Pro Lys
Ser Gly Pro Trp
C21H27N5O6 (445.19612420000004)
Ser Gly Trp Pro
C21H27N5O6 (445.19612420000004)
Ser Lys Asp Pro
Ser Lys Pro Asp
Ser Pro Asp Lys
Ser Pro Gly Trp
C21H27N5O6 (445.19612420000004)
Ser Pro Lys Asp
Ser Pro Trp Gly
C21H27N5O6 (445.19612420000004)
Ser Trp Gly Pro
C21H27N5O6 (445.19612420000004)
Ser Trp Pro Gly
C21H27N5O6 (445.19612420000004)
Thr Pro Gln Thr
Thr Pro Thr Gln
Thr Gln Pro Thr
Thr Gln Thr Pro
Thr Thr Pro Gln
Thr Thr Gln Pro
Val Ala Glu Gln
Val Ala Gln Glu
Val Cys Pro Gln
C18H31N5O6S (445.19949460000004)
Val Cys Gln Pro
C18H31N5O6S (445.19949460000004)
Val Asp Asn Val
Val Asp Val Asn
Val Glu Ala Gln
Val Glu Gln Ala
Val Asn Asp Val
Val Asn Val Asp
Val Pro Cys Gln
C18H31N5O6S (445.19949460000004)
Val Pro Gln Cys
C18H31N5O6S (445.19949460000004)
Val Gln Ala Glu
Val Gln Cys Pro
C18H31N5O6S (445.19949460000004)
Val Gln Glu Ala
Val Gln Pro Cys
C18H31N5O6S (445.19949460000004)
Val Val Asp Asn
Val Val Asn Asp
Trp Gly Pro Ser
C21H27N5O6 (445.19612420000004)
Trp Gly Ser Pro
C21H27N5O6 (445.19612420000004)
Trp Pro Gly Ser
C21H27N5O6 (445.19612420000004)
Trp Pro Ser Gly
C21H27N5O6 (445.19612420000004)
Trp Ser Gly Pro
C21H27N5O6 (445.19612420000004)
Trp Ser Pro Gly
C21H27N5O6 (445.19612420000004)
PC(6:2/6:2)
TyrMe-Lys-OH
C22H27N3O7 (445.18489120000004)
icos#3
A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E)-9-hydroxynon-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans.
3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-7-isoquinolinylcarbamoyl)b enzyl]benzamide
C26H27N3O4 (445.20014620000006)
magnesium 1,4-bis(2-ethylhexyl) 2-sulphonatosuccinate
N4-BENZOYL-5-O-TERT-BUTYLDIMETHYLSILYL-2-DEOXYCYTIDINE
5-O-TBDMS-N4-Benzoyl-2-deoxycytidine is a modified nucleoside. 5-O-TBDMS-N4-Benzoyl-2-deoxycytidine can be used in the synthesis of deoxyribonucleic acid or nucleic acid.
9-([1,1-Biphenyl]-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
3-(5-[(FLUOREN-9-YLMETHOXY)CARBONYLAMINO]PENTYLOXY)BENZOIC ACID
C27H27NO5 (445.18891320000006)
Thiourea, N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-(4-methoxyphenyl)-N-(3-pyridinylmethyl)- (9CI)
C25H27N5OS (445.19362120000005)
Thiourea, N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-(3-methoxyphenyl)-N-(3-pyridinylmethyl)- (9CI)
C25H27N5OS (445.19362120000005)
Thiourea, N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-(2-methoxyphenyl)-N-(3-pyridinylmethyl)- (9CI)
C25H27N5OS (445.19362120000005)
Selonsertib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
(2S,5S)-1-(4-(tert-butyl)phenyl)-2,5-bis(4-nitrophenyl)pyrrolidine
C26H27N3O4 (445.20014620000006)
3-Phenyl-9-phenylcarbazole-6-Boronic acid pinacol ester
9-(3-Biphenylyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
Pyr-Pro-Val-pNA trifluoroacetate salt
C21H27N5O6 (445.19612420000004)
9H-Carbazole, 9-[1,1-biphenyl]-4-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
(2E)-9-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}non-2-enoic acid
(2E,8R)-8-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}non-2-enoic acid
1H-Pyrazolo[3,4-d]pyriMidin-6-aMine, N-[3-Methoxy-4-(4-Methyl-1-piperazinyl)phenyl]-1-(4-Methoxyphenyl)-
4-(2-Aminoethoxy)-N-(3-Chloro-2-Ethoxy-5-Piperidin-1-Ylphenyl)-3,5-Dimethylbenzamide
C24H32ClN3O3 (445.21320720000006)
1-((1R)-1-(Hydroxymethyl)-3-{6-[(3-phenylpropanoyl)amino]-1H-indol-1-YL}propyl)-1H-imidazole-4-carboxamide
Docusate sodium
C20H38NaO7S+ (445.22358180000003)
Anionic surfactant used as wetting/dispersing/emulsifying agent in food processing. Hog/poultry scald agent. It is used in cheeses, salad dressings, cocoa and dairy products. Docusate sodium is found in cocoa and cocoa products, milk and milk products, and herbs and spices.
[10,13-dimethyl-17-(1-oxidopyridin-1-ium-3-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
C24H31NO5S (445.19228360000005)
2-Cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester
[4-[5-Tert-butyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone
2-(2,4-Dimethoxyphenyl)-5-methyl-4-[[4-(4-quinazolinyl)-1-piperazinyl]methyl]oxazole
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(2-methoxyphenyl)-1-(3-pyridinylmethyl)thiourea
C25H27N5OS (445.19362120000005)
N-[(E)-(4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)amino]benzamide
C26H27N3O4 (445.20014620000006)
8-methoxy-3-[(E)-[4-methoxy-3-(1-pyrrolidinylmethyl)phenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
(2R,3R,3aS,9bS)-1-[(2,5-difluorophenyl)methyl]-3-(hydroxymethyl)-2-(morpholine-4-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
(1R,9S,10S,11S)-10-(hydroxymethyl)-5-(4-methoxyphenyl)-12-methyl-6-oxo-N-phenyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C26H27N3O4 (445.20014620000006)
(2S,3S,3aR,9bR)-1-[(2,5-difluorophenyl)methyl]-3-(hydroxymethyl)-2-[4-morpholinyl(oxo)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
4,4,4-trifluoro-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
C21H30F3N3O4 (445.21882960000005)
(3R)-3-(2-hydroxyethyl)-N,N-dimethyl-2-(1-oxopropyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(1S,9R,10R,11R)-10-(hydroxymethyl)-5-(4-methoxyphenyl)-12-methyl-6-oxo-N-phenyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C26H27N3O4 (445.20014620000006)
[(2S,3S)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]-pyridin-2-ylmethanone
C24H26F3N3O2 (445.19770120000004)
4,4,4-trifluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
C21H30F3N3O4 (445.21882960000005)
4,4,4-trifluoro-N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
C21H30F3N3O4 (445.21882960000005)
4,4,4-trifluoro-N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
C21H30F3N3O4 (445.21882960000005)
[(2R,3R)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]-pyridin-2-ylmethanone
C24H26F3N3O2 (445.19770120000004)
(1S,19S)-9,9,16,16-tetramethyl-14-oxido-8-oxa-23,25-diaza-14-azoniaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-2,4(13),5,7(12),10,14-hexaene-24,26-dione
C26H27N3O4 (445.20014620000006)
(1S,3S,12Z)-1-hydroxy-14,14,21,21-tetramethyl-22-oxa-5,11,16-triazahexacyclo[13.11.0.03,11.05,9.017,26.018,23]hexacosa-8,12,15,17(26),18(23),19,24-heptaene-4,10-dione
C26H27N3O4 (445.20014620000006)
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
C21H36NO7P (445.22292760000005)
icas#3
A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E,8R)-8-hydroxynon-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans.
estrone 3-O-(beta-D-glucuronide)(1-)
A steroid glucuronide anion that is the conjugate base of estrone 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
PQR620
C21H25F2N7O2 (445.20376939999994)
PQR620 is an orally bioavailable and selective brain penetrant inhibitor of mTORC1/2[1]. PQR620 is an orally bioavailable and selective brain penetrant inhibitor of mTORC1/2[1].
Samelisant
C21H33Cl2N3O3 (445.1898848000001)
Samelisant (SUVN-G3031) is a potent and selective histamine H3 receptor (H3R) inverse agonist with good brain penetration and oral bioavailability. Samelisant has a similar binding affinity towards human (hH3R; Ki=8.7 nM) and rat (rH3R;Ki=9.8 nM) H3R indicating no inter-species differences. Samelisant can be used for the research of sleep-related disorders[1].
3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-{2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl}-1,4-dihydroxypyridin-2-one
3-[(1s,2s,4ar,6r,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1s,2r,5s,6s)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-1,4-dihydroxypyridin-2-one
5-{2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl}-3-(2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-1,4-dihydroxypyridin-2-one
(1s,3s)-1-hydroxy-14,14,21,21-tetramethyl-22-oxa-5,11,16-triazahexacyclo[13.11.0.0³,¹¹.0⁵,⁹.0¹⁷,²⁶.0¹⁸,²³]hexacosa-8,12,15,17(26),18(23),19,24-heptaene-4,10-dione
C26H27N3O4 (445.20014620000006)
(1s,9s,10s,13s)-6-[(1r,2r,4as,6r,8ar)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-1,4,10,13-tetrahydroxy-8-oxa-4-azatricyclo[7.3.1.0²,⁷]trideca-2,6-dien-5-one
1-hydroxy-14,14,21,21-tetramethyl-22-oxa-5,11,16-triazahexacyclo[13.11.0.0³,¹¹.0⁵,⁹.0¹⁷,²⁶.0¹⁸,²³]hexacosa-8,12,15,17(26),18(23),19,24-heptaene-4,10-dione
C26H27N3O4 (445.20014620000006)
5-{2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl}-3-(5-hydroxy-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)pyridine-2,4-diol
3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1s,2r,5s,6s)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-1,4-dihydroxypyridin-2-one
6-(2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-1,4,10,13-tetrahydroxy-8-oxa-4-azatricyclo[7.3.1.0²,⁷]trideca-2,6-dien-5-one
1,5,10,13-tetrahydroxy-8-oxa-4-azatricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-trien-6-yl 2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
(2e,6e)-8-{2-[(1s)-1-carboxy-2-methylbutyl]-4,6-dihydroxy-1-oxo-3h-isoindol-5-yl}-2,6-dimethylocta-2,6-dienoic acid
3-[(1r,2r,4as,5s,6r,8ar)-5-hydroxy-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2s,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol
2-({8,11-dimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-7-yl}oxy)-6-methyloxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(9bs,11r)-8,11-dimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-7-yl]oxy}-6-methyloxane-3,4,5-triol
(1s,17r,19r)-26-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0¹,¹⁷.0³,¹⁵.0⁴,¹³.0⁷,¹².0¹⁹,²³]hexacosa-3(15),4,6,10,12,25-hexaene-2,24-dione
C26H27N3O4 (445.20014620000006)
5-{2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl}-3-[6-(hydroxymethyl)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]pyridine-2,4-diol
3-[(1r,2r,4as,6r,8ar)-6-(hydroxymethyl)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2s,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol
26-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0¹,¹⁷.0³,¹⁵.0⁴,¹³.0⁷,¹².0¹⁹,²³]hexacosa-3(15),4,6,10,12,25-hexaene-2,24-dione
C26H27N3O4 (445.20014620000006)
(1r,17s,19s)-26-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0¹,¹⁷.0³,¹⁵.0⁴,¹³.0⁷,¹².0¹⁹,²³]hexacosa-3(15),4,6,10,12,25-hexaene-2,24-dione
C26H27N3O4 (445.20014620000006)
9-[5-(dimethylamino)-6-methyloxan-2-yl]-1,8-dihydroxy-3-methyltetraphene-7,12-dione
C27H27NO5 (445.18891320000006)
[(7s,7ar)-7-hydroxy-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s,3s)-2-hydroxy-3-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2-isopropylbutanoate
(1s,17s,19r)-26-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0¹,¹⁷.0³,¹⁵.0⁴,¹³.0⁷,¹².0¹⁹,²³]hexacosa-3(15),4,6,10,12,25-hexaene-2,24-dione
C26H27N3O4 (445.20014620000006)
(1r,9s,10s,13s)-1,5,10,13-tetrahydroxy-8-oxa-4-azatricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-trien-6-yl (1r,2r,4as,6r,8ar)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
(17s)-26-hydroxy-9,9,16,16-tetramethyl-24-oxo-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0¹,¹⁷.0³,¹⁵.0⁴,¹³.0⁷,¹².0¹⁹,²³]hexacosa-2,4(13),5,7(12),10,14,25-heptaen-14-ium-14-olate
C26H27N3O4 (445.20014620000006)
9-[(2r,5s,6s)-5-(dimethylamino)-6-methyloxan-2-yl]-1,8-dihydroxy-3-methyltetraphene-7,12-dione
C27H27NO5 (445.18891320000006)