CFam Chemical Families Database
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You are searching for "CFAMM00316520" 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 CFAMM00316520
Family CFFBM848 Aurora kinase B inhibitor AGN-PC-07ZZ0Y family
Superfamily CFSID311 D(4) dopamine receptor Ligand L-745,870 Superfamily
Class CFCID217 Class 1567
External ID CHEMBL456983 External Source CHEMBL
PubChem CID 44587582 Functional Category Bioactive
Molecule Name AGN-PC-077QIW
IUPAC Name 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]urea
Synonyms SureCN13948731;CHEBI:611676;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]urea
InChi InChI=1S/C26H20ClF3N6O/c1-2-36-14-20(18-8-10-31-24-19(18)9-11-32-24)23(35-36)15-4-3-5-16(12-15)33-25(37)34-17-6-7-22(27)21(13-17)26(28,29)30/h3-14H,2H2,1H3,(H,31,32)(H2,33,34,37)
InChiKey LQTOFIINEFIDNP-UHFFFAOYSA-N
Formula C26H20ClF3N6O Molecular Weight 524.92
Cross Link CHEMBL456983
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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