CFam Chemical Families Database
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You are searching for "CFAMM00346337" in compound.

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CFAM Mol ID CFAMM00346337
Family CFFBM3413 DNA-(apurinic or apyrimidinic site) lyase and Ras-related protein Rab-9A inhibitor CHEMBL1343627 family
Superfamily CFSBM1957 Ras-related protein Rab-9A and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform Binder Superfamily
Class CFCBM344 Class 3394
External ID CHEMBL13897 External Source CHEMBL
PubChem CID 6410672 Functional Category Bioactive
Molecule Name BRN 6437214
IUPAC Name 4-(6-pyrrolidin-1-yl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-ylidene)cyclohexa-2,5-dien-1-one
Synonyms 4-(6-(1-Pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)phenol;Phenol, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-;SureCN10664705;AC1O4Q10;CHEBI:113445;LS-105109;4-(6-pyrrolidin-1-yl-2H-[1,2,4]triazolo[3,4-a]phthalazin-3-ylidene)cyclohexa-2,5-dien-1-one;87540-29-2
InChi InChI=1S/C19H17N5O/c25-14-9-7-13(8-10-14)17-20-21-18-15-5-1-2-6-16(15)19(22-24(17)18)23-11-3-4-12-23/h1-2,5-10,25H,3-4,11-12H2
InChiKey CSBRJIFVETUSBW-UHFFFAOYSA-N
Formula C19H17N5O Molecular Weight 331.37
Cross Link CHEMBL13897
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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