CFam Chemical Families Database
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You are searching for "CFAMM00343588" in compound.

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CFAM Mol ID CFAMM00343588
Family CFFBM3133 Gastrin/cholecystokinin type B receptor and Cholecystokinin receptor type A ligand SureCN9842427 family
Superfamily CFSBM1774 Gastrin/cholecystokinin type B receptor and Cholecystokinin receptor type A Binder Superfamily 2
Class CFCID1681 Class 3031
External ID CHEMBL33819 External Source CHEMBL
PubChem CID 44280388 Functional Category Bioactive
Molecule Name AGN-PC-073IUL
IUPAC Name 2-[[2-[3-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenoxy]acetyl]amino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Synonyms CHEBI:144665;2-[[2-[3-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenoxy]acetyl]amino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
InChi InChI=1S/C43H49N7O6/c1-30-12-8-15-33(24-30)46-43(54)48-41-42(53)49(2)37-19-5-4-18-36(37)40(47-41)32-14-10-17-35(26-32)56-29-39(52)45-27-38(51)44-20-11-23-55-34-16-9-13-31(25-34)28-50-21-6-3-7-22-50/h4-5,8-10,12-19,24-26,41H,3,6-7,11,20-23,27-29H2,1-2H3,(H,44,51)(H,45,52)(H2,46,48,54)
InChiKey KBPBCEDQPUACDU-UHFFFAOYSA-N
Formula C43H49N7O6 Molecular Weight 759.89
Cross Link CHEMBL33819
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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