CFam Chemical Families Database
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You are searching for "CFAMM00129306" 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 CFAMM00129306
Family CFFCD24 C-X-C chemokine receptor type 4 Ligand AMD-070 Family
Superfamily CFSAD209 Toll-like receptor 7 Ligand Imiquimod Superfamily
Class CFCAD202 Class 202
External ID CHEMBL2387005 External Source CHEMBL
PubChem CID 11260323 Functional Category Bioactive
Molecule Name AGN-PC-005HEI
IUPAC Name 1-[2-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(2,6-difluorophenyl)urea
Synonyms SureCN5116929;1-[2-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-3-(2,6-difluorophenyl)urea
InChi InChI=1S/C25H22F2N8O/c26-16-6-3-7-17(27)21(16)34-25(36)31-13-8-9-18-19(10-13)33-23(32-18)15-11-35(14-4-1-2-5-14)24-20(15)22(28)29-12-30-24/h3,6-12,14H,1-2,4-5H2,(H,32,33)(H2,28,29,30)(H2,31,34,36)
InChiKey YSROCLXNQLJIKL-UHFFFAOYSA-N
Formula C25H22F2N8O Molecular Weight 488.49
Cross Link CHEMBL2387005
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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