CFam Chemical Families Database
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You are searching for "CFAMM00335081" 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 CFAMM00335081
Family CFFBM2521 Serine/threonine-protein kinase B-raf inhibitor SureCN1013857 family
Superfamily CFSBM560 Serine/threonine-protein kinase B-raf and Phosphatidylinositol 3-kinase regulatory subunit alpha Binder Superfamily
Class CFCCD211 Class 1024
External ID CHEMBL1761581 External Source CHEMBL
PubChem CID 54582305 Functional Category Bioactive
Molecule Name AGN-PC-0A9RE3
IUPAC Name 8-cyclopropyl-7-(1-methylpyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
Synonyms CHEBI:1238865;8-cyclopropyl-7-(1-methylpyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
InChi InChI=1S/C27H27N9O/c1-34-16-20(15-30-34)23-9-4-19-14-28-26(32-25(19)24(23)18-2-3-18)31-21-5-7-22(8-6-21)36-17-29-27(33-36)35-10-12-37-13-11-35/h4-9,14-18H,2-3,10-13H2,1H3,(H,28,31,32)
InChiKey SVIZILSXAQTEQC-UHFFFAOYSA-N
Formula C27H27N9O Molecular Weight 493.56
Cross Link CHEMBL1761581
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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