CFam Chemical Families Database
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You are searching for "CFAMM00433544" in compound.

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CFAM Mol ID CFAMM00433544
Family CFFBM15342 Substance-P receptor and Substance-K receptor ligand 2-[3-[1-[(3R,4Z)-5-[(3,5-dichlorobenzoyl)-ethylamino]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetic acid family
Superfamily CFSBM6331 Substance-K receptor and Substance-P receptor Binder Superfamily 9
Class CFCID216 Class 1566
External ID CHEMBL78851 External Source CHEMBL
PubChem CID 44315576 Functional Category Bioactive
Molecule Name methyl 2-[3-[1-[(3R,4Z)-5-[(3,5-dichlorobenzoyl)-methylamino]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetate
IUPAC Name methyl 2-[3-[1-[(3R,4Z)-5-[(3,5-dichlorobenzoyl)-methylamino]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetate
Synonyms CHEBI:223039
InChi InChI=1S/C35H37Cl4N5O5/c1-41(34(46)23-16-24(36)19-25(37)17-23)20-30(40-49-3)27(22-8-9-28(38)29(39)18-22)12-15-42-13-10-26(11-14-42)44-32-7-5-4-6-31(32)43(35(44)47)21-33(45)48-2/h4-9,16-19,26-27H,10-15,20-21H2,1-3H3/b40-30+/t27-/m1/s1
InChiKey AXOFNMUYIHBQIG-HSMZZXILSA-N
Formula C35H37Cl4N5O5 Molecular Weight 749.51
Cross Link CHEMBL78851
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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Deputy Director of Center for Computational Science and Engineering
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National University of Singapore, Singapore


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