CFam Chemical Families Database
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You are searching for "CFAMM00430359" in compound.

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CFAM Mol ID CFAMM00430359
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 CHEMBL33743 External Source CHEMBL
PubChem CID 44281005 Functional Category Bioactive
Molecule Name 2-[(3R)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl N-[4-oxo-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butyl]carbamate
IUPAC Name 2-[(3R)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethyl N-[4-oxo-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butyl]carbamate
Synonyms CHEBI:145704
InChi InChI=1S/C45H53N7O6/c1-33-14-10-18-36(30-33)48-44(55)50-42-43(54)52(39-21-7-6-20-38(39)41(49-42)35-16-4-2-5-17-35)27-29-58-45(56)47-23-12-22-40(53)46-24-13-28-57-37-19-11-15-34(31-37)32-51-25-8-3-9-26-51/h2,4-7,10-11,14-21,30-31,42H,3,8-9,12-13,22-29,32H2,1H3,(H,46,53)(H,47,56)(H2,48,50,55)/t42-/m0/s1
InChiKey IJLVVMDQXVMEAV-WBCKFURZSA-N
Formula C45H53N7O6 Molecular Weight 787.95
Cross Link CHEMBL33743
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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