CFam Chemical Families Database
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You are searching for "CFAMM00017972" in compound.

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CFAM Mol ID CFAMM00017972
Family CFFAD90 xanthine alkaloid Theobromine family
Superfamily CFSAD2 cAMP-specific 3',5'-cyclic phosphodiesterase, TNF inhibitor xanthine derivative Superfamily
Class CFCAD2 Class 2
External ID DAP000987 External Source TTD
PubChem CID 5394 Functional Category Approved Drug
Molecule Name Temozolomide
IUPAC Name 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Synonyms Methazolastone;Temodar;85622-93-1;Temodal;Temozolamide;Temozolomidum;CCRG-81045;Temozolodida;Temozolomidum [Latin];CCRG 81045
InChi InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)
InChiKey BPEGJWRSRHCHSN-UHFFFAOYSA-N
Formula C6H6N6O2 Molecular Weight 194.15
Cross Link CHEMBL810 DB00853
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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