CFam Chemical Families Database
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You are searching for "CFAMM00306248" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00306248
Family CFFBM43 Caspase-3 and Caspase-1 inhibitor (4S)-5-[[(2S)-1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid family
Superfamily CFSAD675 Serum albumin Inhibitor Gadobenate Dimeglumine Superfamily
Class CFCAD610 Class 610
External ID CHEMBL419508 External Source CHEMBL
PubChem CID 44325864 Functional Category Bioactive
Molecule Name SureCN8244437
IUPAC Name benzyl N-[(4S,7S,10aS)-4-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-6-oxo-2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-7-yl]carbamate
Synonyms CHEBI:251283
InChi InChI=1S/C23H29N3O7/c27-19-12-17(22(30)33-19)24-20(28)18-11-5-9-15-8-4-10-16(21(29)26(15)18)25-23(31)32-13-14-6-2-1-3-7-14/h1-3,6-7,15-18,22,30H,4-5,8-13H2,(H,24,28)(H,25,31)/t15-,16-,17-,18-,22?/m0/s1
InChiKey VZBQJMYCHGRDBC-MLAIWNIGSA-N
Formula C23H29N3O7 Molecular Weight 459.49
Cross Link CHEMBL419508
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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