CFam Chemical Families Database
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You are searching for "CFAMM00394239" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00394239
Family CFFBM9288 cGMP-dependent 3',5'-cyclic phosphodiesterase and cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A inhibitor N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide family
Superfamily CFSBM2267 Survival motor neuron protein and Cruzipain Binder Superfamily 2
Class CFCBM498 Class 3548
External ID CHEMBL251780 External Source CHEMBL
PubChem CID 11699573 Functional Category Bioactive
Molecule Name AGN-PC-00EDRQ
IUPAC Name 3-acetyl-N-[3-fluoro-4-[5-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]benzamide
Synonyms SureCN4811563;CHEBI:524283;3-acetyl-N-[3-fluoro-4-[5-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]benzamide
InChi InChI=1S/C29H31FN6O4/c1-19-26(39-14-13-35-11-9-34(3)10-12-35)17-36-27(19)29(31-18-32-36)40-25-8-7-23(16-24(25)30)33-28(38)22-6-4-5-21(15-22)20(2)37/h4-8,15-18H,9-14H2,1-3H3,(H,33,38)
InChiKey WTRBLDMEOQKMME-UHFFFAOYSA-N
Formula C29H31FN6O4 Molecular Weight 546.59
Cross Link CHEMBL251780
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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