CFam Chemical Families Database
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You are searching for "CFAMM00398051" in compound.

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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 CFAMM00398051
Family CFFBM9789 Insulin-like growth factor 1 receptor ligand GSK1220512A family
Superfamily CFSCD628 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Inhibitor Bay 80-6946 Superfamily
Class CFCCD37 Class 850
External ID CHEMBL517171 External Source CHEMBL
PubChem CID 25218571 Functional Category Bioactive
Molecule Name GSK1713088A
IUPAC Name 2-[[2-[4-chloro-2-methoxy-5-(1-propylpiperidin-4-yl)oxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluorobenzamide
Synonyms AGN-PC-050GP1;HMS3303N12;HMS3305G19;pyrrolo[2,3-d]pyrimidine deriv., 9;NCGC00242058-01;AB01092322-01;2-[[2-[4-chloro-2-methoxy-5-(1-propylpiperidin-4-yl)oxyanilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluorobenzamide
InChi InChI=1S/C28H31ClFN7O3/c1-3-11-37-12-8-16(9-13-37)40-22-15-21(23(39-2)14-18(22)29)34-28-35-26-17(7-10-32-26)27(36-28)33-20-6-4-5-19(30)24(20)25(31)38/h4-7,10,14-16H,3,8-9,11-13H2,1-2H3,(H2,31,38)(H3,32,33,34,35,36)
InChiKey GGQTUXCKDZGJDL-UHFFFAOYSA-N
Formula C28H31ClFN7O3 Molecular Weight 568.04
Cross Link CHEMBL517171
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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