CFam Chemical Families Database
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You are searching for "CFAMM00433547" in compound.

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CFAM Mol ID CFAMM00433547
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 CHEMBL312612 External Source CHEMBL
PubChem CID 44315421 Functional Category Bioactive
Molecule Name 2-[3-[1-[(3R,4Z)-5-[(3,5-dichlorobenzoyl)-(2-fluoroethyl)amino]-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)-(2-fluoroethyl)amino]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetic acid
Synonyms CHEBI:222650
InChi InChI=1S/C35H36Cl4FN5O5/c1-50-41-30(20-43(15-11-40)34(48)23-16-24(36)19-25(37)17-23)27(22-6-7-28(38)29(39)18-22)10-14-42-12-8-26(9-13-42)45-32-5-3-2-4-31(32)44(35(45)49)21-33(46)47/h2-7,16-19,26-27H,8-15,20-21H2,1H3,(H,46,47)/b41-30+/t27-/m1/s1
InChiKey QQEUFCBFNCEBTH-UVIULGBXSA-N
Formula C35H36Cl4FN5O5 Molecular Weight 767.50
Cross Link CHEMBL312612
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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