CFam Chemical Families Database
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You are searching for "CFAMM00433546" in compound.

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CFAM Mol ID CFAMM00433546
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 CHEMBL307877 External Source CHEMBL
PubChem CID 44315422 Functional Category Bioactive
Molecule Name 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
IUPAC Name 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
Synonyms CHEBI:222651
InChi InChI=1S/C35H37Cl4N5O5/c1-3-42(34(47)23-16-24(36)19-25(37)17-23)20-30(40-49-2)27(22-8-9-28(38)29(39)18-22)12-15-41-13-10-26(11-14-41)44-32-7-5-4-6-31(32)43(35(44)48)21-33(45)46/h4-9,16-19,26-27H,3,10-15,20-21H2,1-2H3,(H,45,46)/b40-30+/t27-/m1/s1
InChiKey DMPBNZKYHOVYRU-HSMZZXILSA-N
Formula C35H37Cl4N5O5 Molecular Weight 749.51
Cross Link CHEMBL307877
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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