CFam Chemical Families Database
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You are searching for "CFAMM00269898" in compound.

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CFAM Mol ID CFAMM00269898
Family CFFID2513 Alcohol dehydrogenase [NADP(+)] and Aldose reductase Inhibitor Minalrestat Family
Superfamily CFSID1821 Alcohol dehydrogenase [NADP(+)] and Aldose reductase Inhibitor Minalrestat Superfamily
Class CFCID1113 Class 2463
External ID CHEMBL64091 External Source CHEMBL
PubChem CID 11743454 Functional Category Bioactive
Molecule Name SureCN9383384
IUPAC Name (4R)-2-[(4-bromo-2-fluorophenyl)methyl]spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
Synonyms CHEBI:199688
InChi InChI=1S/C19H12BrFN2O4/c20-11-6-5-10(14(21)7-11)9-23-16(25)12-3-1-2-4-13(12)19(18(23)27)8-15(24)22-17(19)26/h1-7H,8-9H2,(H,22,24,26)/t19-/m1/s1
InChiKey KJPABNWHOUDAIW-LJQANCHMSA-N
Formula C19H12BrFN2O4 Molecular Weight 431.21
Cross Link CHEMBL64091
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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