CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00409491" in compound.

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CFAM Mol ID CFAMM00409491
Family CFFBM11455 Renin inhibitor (2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-(5-hydroxy-2-adamantyl)hexanamide;(E)-but-2-enedioic acid;hydrate family
Superfamily CFSBM5240 Renin Binder Superfamily 8
Class CFCAD348 Class 348
External ID CHEMBL2387570 External Source CHEMBL
PubChem CID 73350488 Functional Category Bioactive
Molecule Name (2S,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-2-propan-2-ylhexanamide;(E)-but-2-enedioic acid
IUPAC Name (2S,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-N-(3-hydroxy-1-adamantyl)-2-propan-2-ylhexanamide;(E)-but-2-enedioic acid
InChi InChI=1S/C31H47ClN4O4.C4H4O4/c1-19(2)22(28(39)34-30-11-20-9-21(12-30)14-31(40,13-20)17-30)10-26(37)24(33)15-35-16-27(38)36(18-29(35,3)4)25-8-6-5-7-23(25)32;5-3(6)1-2-4(7)8/h5-8,19-22,24,26,37,40H,9-18,33H2,1-4H3,(H,34,39);1-2H,(H,5,6)(H,7,8)/b;2-1+/t20?,21?,22-,24-,26-,30?,31?;/m0./s1
Formula C35H51ClN4O8 Molecular Weight 691.25
Cross Link CHEMBL2387570

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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