CFam Chemical Families Database
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You are searching for "CFAMM00352650" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00352650
Family CFFBM4052 Kappa-type opioid receptor and Mu-type opioid receptor ligand (3S)-3-amino-4-[3-[(1S)-1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]anilino]-4-oxobutanoic acid family
Superfamily CFSBM1162 Chymase and Mu-type opioid receptor Binder Superfamily
Class CFCBM448 Class 3498
External ID CHEMBL175969 External Source CHEMBL
PubChem CID 11366189 Functional Category Bioactive
Molecule Name N'-[2-[[2-[3-[(1S)-1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]anilino]-2-oxoethyl]amino]-2-oxoethyl]-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]butanediamide
IUPAC Name N'-[2-[[2-[3-[(1S)-1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]anilino]-2-oxoethyl]amino]-2-oxoethyl]-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]butanediamide
Synonyms CHEBI:396758
InChi InChI=1S/C34H44Cl2N8O7/c1-37-30(47)17-40-31(48)18-38-28(45)10-11-29(46)39-19-32(49)41-20-33(50)42-24-7-5-6-23(16-24)27(21-44-12-3-4-13-44)43(2)34(51)15-22-8-9-25(35)26(36)14-22/h5-9,14,16,27H,3-4,10-13,15,17-21H2,1-2H3,(H,37,47)(H,38,45)(H,39,46)(H,40,48)(H,41,49)(H,42,50)/t27-/m1/s1
InChiKey SOJZMPBNDXHKMP-HHHXNRCGSA-N
Formula C34H44Cl2N8O7 Molecular Weight 747.67
Cross Link CHEMBL175969
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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