CFam Chemical Families Database
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You are searching for "CFAMM00428670" 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 CFAMM00428670
Family CFFBM14477 Calpain-1 catalytic subunit inhibitor 2-ethyl-1,1-dioxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-7,8-dihydro-[1,4]dioxino[2,3-g][1,2]benzothiazine-3-carboxamide family
Superfamily CFSBM4882 Calpain-1 catalytic subunit and Trypsin-1 Binder Superfamily
Class CFCBM260 Class 3310
External ID CHEMBL8757 External Source CHEMBL
PubChem CID 44265449 Functional Category Bioactive
Molecule Name 2-ethyl-N-[(2S)-4-[3-[(4-fluorophenyl)sulfonylamino]propylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1,1-dioxo-3,4,7,8-tetrahydro-[1,4]dioxino[2,3-g][1,2]benzothiazine-3-carboxamide
IUPAC Name 2-ethyl-N-[(2S)-4-[3-[(4-fluorophenyl)sulfonylamino]propylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1,1-dioxo-3,4,7,8-tetrahydro-[1,4]dioxino[2,3-g][1,2]benzothiazine-3-carboxamide
Synonyms CHEBI:104107
InChi InChI=1S/C32H35FN4O9S2/c1-2-37-26(18-22-19-27-28(46-16-15-45-27)20-29(22)48(37,43)44)31(39)36-25(17-21-7-4-3-5-8-21)30(38)32(40)34-13-6-14-35-47(41,42)24-11-9-23(33)10-12-24/h3-5,7-12,19-20,25-26,35H,2,6,13-18H2,1H3,(H,34,40)(H,36,39)/t25-,26?/m0/s1
InChiKey RKPKFJWNGYASQH-PMCHYTPCSA-N
Formula C32H35FN4O9S2 Molecular Weight 702.77
Cross Link CHEMBL8757
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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