CFam Chemical Families Database
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You are searching for "CFAMM00430361" in compound.

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CFAM Mol ID CFAMM00430361
Family CFFBM14801 Gastrin/cholecystokinin type B receptor and Histamine H2 receptor ligand [3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methyl N-[3-[4-[2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]acetyl]piperazin-1-yl]propyl]carbamate family
Superfamily CFSBM1774 Gastrin/cholecystokinin type B receptor and Cholecystokinin receptor type A Binder Superfamily 2
Class CFCID1681 Class 3031
External ID CHEMBL598637 External Source CHEMBL
PubChem CID 45140795 Functional Category Bioactive
Molecule Name AGN-PC-07B1OB
IUPAC Name 1-[(3-ethylphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
Synonyms CHEBI:696337;1-[(3-ethylphenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
InChi InChI=1S/C29H28N2O2/c1-5-16-33-25-14-15-27-26(18-25)28(24-12-10-23(11-13-24)20(3)4)30-29(32)31(27)19-22-9-7-8-21(6-2)17-22/h1,7-15,17-18,20H,6,16,19H2,2-4H3
InChiKey SSFRINOBUQBZSM-UHFFFAOYSA-N
Formula C29H28N2O2 Molecular Weight 436.54
Cross Link CHEMBL598637
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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