CFam Chemical Families Database
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You are searching for "CFAMM00398168" in compound.

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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 CFAMM00398168
Family CFFBM9817 Caspase-1 and Caspase-8 inhibitor (4S,7S,11aS)-2-(benzenesulfonyl)-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-7-(naphthalene-2-carbonylamino)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide family
Superfamily CFSBM4961 Caspase-8 and Caspase-1 Binder Superfamily
Class CFCID676 Class 2026
External ID CHEMBL382066 External Source CHEMBL
PubChem CID 44405707 Functional Category Bioactive
Molecule Name (4S,7S,11aS)-7-benzamido-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-2-methylsulfonyl-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide
IUPAC Name (4S,7S,11aS)-7-benzamido-N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-2-methylsulfonyl-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide
Synonyms CHEBI:433642
InChi InChI=1S/C23H30N4O8S/c1-36(33,34)26-12-15-9-5-6-10-16(24-20(29)14-7-3-2-4-8-14)22(31)27(15)18(13-26)21(30)25-17-11-19(28)35-23(17)32/h2-4,7-8,15-18,23,32H,5-6,9-13H2,1H3,(H,24,29)(H,25,30)/t15-,16-,17-,18-,23?/m0/s1
InChiKey HBVXRUIPTGRFDT-PLCAQUOPSA-N
Formula C23H30N4O8S Molecular Weight 522.57
Cross Link CHEMBL382066
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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