CFam Chemical Families Database
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You are searching for "CFAMM00428668" in compound.

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CFAM Mol ID CFAMM00428668
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 CHEMBL418150 External Source CHEMBL
PubChem CID 44265462 Functional Category Bioactive
Molecule Name 2-ethyl-N-[(2S)-4-[2-(methanesulfonamido)ethylamino]-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-[2-(methanesulfonamido)ethylamino]-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:104128
InChi InChI=1S/C26H32N4O9S2/c1-3-30-20(14-18-15-21-22(39-12-11-38-21)16-23(18)41(30,36)37)25(32)29-19(13-17-7-5-4-6-8-17)24(31)26(33)27-9-10-28-40(2,34)35/h4-8,15-16,19-20,28H,3,9-14H2,1-2H3,(H,27,33)(H,29,32)/t19-,20?/m0/s1
InChiKey VDKSRDRLBCRDJG-XJDOXCRVSA-N
Formula C26H32N4O9S2 Molecular Weight 608.68
Cross Link CHEMBL418150
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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National University of Singapore, Singapore


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