CFam Chemical Families Database
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You are searching for "CFAMM00327252" in compound.

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CFAM Mol ID CFAMM00327252
Family CFFBM1771 Tyrosine-protein kinase ABL1 and Mitogen-activated protein kinase 14 inhibitor AGN-PC-080Z2G family
Superfamily CFSID283 Bacterial outer membrane Inhibitor HKI-9924129 Superfamily
Class CFCCD240 Class 1053
External ID CHEMBL412102 External Source CHEMBL
PubChem CID 15941393 Functional Category Bioactive
Molecule Name 1-[4-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
IUPAC Name 1-[4-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
Synonyms SureCN1718380;AGN-PC-00Q5C3;1-[4-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
InChi InChI=1S/C21H17ClF3N7O/c22-15-6-5-13(9-14(15)21(23,24)25)31-20(33)30-12-3-1-11(2-4-12)16-7-8-27-19-17(32-16)18(26)28-10-29-19/h1-6,9-10H,7-8H2,(H2,30,31,33)(H3,26,27,28,29)
InChiKey FVARFCVQRUETKP-UHFFFAOYSA-N
Formula C21H17ClF3N7O Molecular Weight 475.85
Cross Link CHEMBL412102
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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