CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00386074" in compound.

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CFAM Mol ID CFAMM00386074
Family CFFBM8179 Histone deacetylase 3 and Histone deacetylase 9 inhibitor (3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[[2-(3,5-dimethoxyphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone family
Superfamily CFSBM4433 Histone deacetylase 3 and Histone deacetylase 9 inhibitor (3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[[2-(3,5-dimethoxyphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone Superfamily
Class CFCBM122 Class 3172
External ID ZINC12662031 External Source ZINC
PubChem CID 16399017 Functional Category Natural Product
Molecule Name (S)-methyl 2-(2-((4-butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
IUPAC Name methyl (3S)-2-[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Synonyms MolPort-002-519-047;ZINC12662031;MCULE-7322759220
InChi InChI=1S/C29H30N2O6/c1-4-5-8-18-13-27(33)37-25-12-17(2)11-24(28(18)25)36-16-26(32)31-15-22-20(14-23(31)29(34)35-3)19-9-6-7-10-21(19)30-22/h6-7,9-13,23,30H,4-5,8,14-16H2,1-3H3/t23-/m0/s1
Formula C29H30N2O6 Molecular Weight 502.56
Cross Link

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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National University of Singapore, Singapore

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