CFam Chemical Families Database
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You are searching for "CFAMM00343595" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00343595
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 CHEMBL281017 External Source CHEMBL
PubChem CID 44279862 Functional Category Bioactive
Molecule Name AGN-PC-073IIC
IUPAC Name 2-[3-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Synonyms CHEBI:143697;2-[3-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
InChi InChI=1S/C41H46N6O5/c1-29-12-8-15-32(24-29)43-41(50)45-39-40(49)46(2)36-19-5-4-18-35(36)38(44-39)31-14-10-17-34(26-31)52-28-37(48)42-20-11-23-51-33-16-9-13-30(25-33)27-47-21-6-3-7-22-47/h4-5,8-10,12-19,24-26,39H,3,6-7,11,20-23,27-28H2,1-2H3,(H,42,48)(H2,43,45,50)
InChiKey ILXBHSJAXBREPQ-UHFFFAOYSA-N
Formula C41H46N6O5 Molecular Weight 702.84
Cross Link CHEMBL281017
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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