CFam Chemical Families Database
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You are searching for "CFAMM00398254" in compound.

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CFAM Mol ID CFAMM00398254
Family CFFBM9832 Caspase-1 and Caspase-8 inhibitor (4S,7S,11aS)-7-benzamido-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-6-oxo-1,2,3,4,7,8,9,10,11,11a-decahydropyrazino[1,2-a]azocine-4-carboxamide family
Superfamily CFSBM4961 Caspase-8 and Caspase-1 Binder Superfamily
Class CFCID676 Class 2026
External ID CHEMBL198644 External Source CHEMBL
PubChem CID 44405629 Functional Category Bioactive
Molecule Name benzyl (4S,7S,9Z,11aS)-7-benzamido-4-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-6-oxo-3,4,7,8,11,11a-hexahydro-1H-pyrazino[1,2-a]azocine-2-carboxylate
IUPAC Name benzyl (4S,7S,9Z,11aS)-7-benzamido-4-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-6-oxo-3,4,7,8,11,11a-hexahydro-1H-pyrazino[1,2-a]azocine-2-carboxylate
Synonyms CHEBI:433502
InChi InChI=1S/C30H32N4O8/c35-25-15-23(29(39)42-25)32-27(37)24-17-33(30(40)41-18-19-9-3-1-4-10-19)16-21-13-7-8-14-22(28(38)34(21)24)31-26(36)20-11-5-2-6-12-20/h1-12,21-24,29,39H,13-18H2,(H,31,36)(H,32,37)/b8-7-/t21-,22-,23-,24-,29?/m0/s1
InChiKey OHCGXQWQIAAFLW-QJBLPMDESA-N
Formula C30H32N4O8 Molecular Weight 576.60
Cross Link CHEMBL198644
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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