CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00473171" in compound.

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CFAM Mol ID CFAMM00473171
Family CFFBM25142 Caspase-3 inhibitor 2-[8-morpholin-4-ylsulfonyl-1,3-dioxo-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolo[3,4-c]quinolin-2-yl]ethyl acetate family
Superfamily CFSBM4153 Caspase-3 and Niemann-Pick C1 protein Binder Superfamily
Class CFCBM930 Class 3980
External ID CHEMBL433812 External Source CHEMBL
PubChem CID 11179699 Functional Category Bioactive
Molecule Name 2-(4-carbamimidoylsulfanyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)ethyl acetate
IUPAC Name 2-(4-carbamimidoylsulfanyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)ethyl acetate
Synonyms pyrrolo[3,4-c]-quinoline-1,3-dione 21a
InChi InChI=1S/C20H21N5O7S2/c1-11(26)32-9-6-25-18(27)15-13-10-12(34(29,30)24-4-7-31-8-5-24)2-3-14(13)23-17(33-20(21)22)16(15)19(25)28/h2-3,10H,4-9H2,1H3,(H3,21,22)
Formula C20H21N5O7S2 Molecular Weight 507.54
Cross Link CHEMBL433812

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).

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National University of Singapore, Singapore

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