CFam Chemical Families Database
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You are searching for "CFAMM00287346" in compound.

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CFAM Mol ID CFAMM00287346
Family CFFID3264 Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-protein ligase XIAP Inhibitor SM-337 Family
Superfamily CFSID7 Prothrombin and Neuropeptide Y receptor type 1 Binder Superfamily
Class CFCID4 Class 1354
External ID CHEMBL575805 External Source CHEMBL
PubChem CID 44237068 Functional Category Bioactive
Molecule Name SureCN13124463
IUPAC Name (3S,6S,7R,9aS)-N-benzhydryl-7-(2-hydroxyethyl)-6-[[(2S)-2-(methylamino)butanoyl]amino]-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide
Synonyms 1-aza-2-oxobicyclo[5.3.0]decane scaffold, 34b
InChi InChI=1S/C30H40N4O4/c1-3-24(31-2)28(36)33-27-22(18-19-35)14-15-23-16-17-25(34(23)30(27)38)29(37)32-26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22-27,31,35H,3,14-19H2,1-2H3,(H,32,37)(H,33,36)/t22-,23+,24+,25+,27+/m1/s1
InChiKey BQFRGLYFTFQIFN-HOIWYFOJSA-N
Formula C30H40N4O4 Molecular Weight 520.66
Cross Link CHEMBL575805
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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