CFam Chemical Families Database
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You are searching for "CFAMM00318316" in compound.

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CFAM Mol ID CFAMM00318316
Family CFFBM996 Baculoviral IAP repeat-containing protein 2 and E3 ubiquitin-protein ligase XIAP inhibitor (3S,6S,10aS)-N-[(S)-[1-[10-[4-[(S)-[[(3S,6S,10aS)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carbonyl]amino]-phenylmethyl]triazol-1-yl]decyl]triazol-4-yl]-phenylmethyl]-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide family
Superfamily CFSBM567 Baculoviral IAP repeat-containing protein 2 and E3 ubiquitin-protein ligase XIAP Binder Superfamily
Class CFCBM220 Class 3270
External ID CHEMBL1095994 External Source CHEMBL
PubChem CID 46830179 Functional Category Bioactive
Molecule Name CHEMBL1095994
IUPAC Name
Synonyms CHEBI:727888
InChi InChI=1S/C50H70N14O6/c1-33(51-3)45(65)53-37-21-11-13-25-61-31-41(57-59-61)40(30-36-19-9-6-10-20-36)56-48(68)44-24-16-28-64(44)50(70)38(54-46(66)34(2)52-4)22-12-14-26-62-32-42(58-60-62)39(29-35-17-7-5-8-18-35)55-47(67)43-23-15-27-63(43)49(37)69/h5-10,17-20,31-34,37-40,43-44,51-52H,11-16,21-30H2,1-4H3,(H,53,65)(H,54,66)(H,55,67)(H,56,68)/t33-,34-,37-,38-,39-,40-,43-,44-/m0/s1
InChiKey TYNHJKLQRPJVGS-PSHIGVLGSA-N
Formula C50H70N14O6 Molecular Weight 963.18
Cross Link CHEMBL1095994
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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