CFam Chemical Families Database
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You are searching for "CFAMM00429255" in compound.

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CFAM Mol ID CFAMM00429255
Family CFFBM14607 Gastrin/cholecystokinin type B receptor and Cholecystokinin receptor type A ligand ethyl 3-[[[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]amino]carbamoylamino]benzoate family
Superfamily CFSBM6372 Integrin beta-3 and Integrin alpha-V Binder Superfamily 25
Class CFCBM1170 Class 4220
External ID CHEMBL168875 External Source CHEMBL
PubChem CID 44379911 Functional Category Bioactive
Molecule Name AGN-PC-0756JL
IUPAC Name 1-(3-methylphenyl)-3-[[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]methyl]urea
Synonyms CHEBI:379217;1-(3-methylphenyl)-3-[[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]methyl]urea
InChi InChI=1S/C26H26N4O3/c1-17(2)33-21-11-7-10-20(15-21)30-24(29-23-13-5-4-12-22(23)25(30)31)16-27-26(32)28-19-9-6-8-18(3)14-19/h4-15,17H,16H2,1-3H3,(H2,27,28,32)
InChiKey VVWUAWBEMPHRNO-UHFFFAOYSA-N
Formula C26H26N4O3 Molecular Weight 442.51
Cross Link CHEMBL168875
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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