CFam Chemical Families Database
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You are searching for "CFAMM00444083" in compound.

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CFAM Mol ID CFAMM00444083
Family CFFBM17721 C-C chemokine receptor type 5 ligand N-benzyl-N-[(3R)-1-[(1S,5R)-8-(2,6-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide family
Superfamily CFSBM733 Kappa-type opioid receptor and C-C chemokine receptor type 5 Binder Superfamily
Class CFCCD249 Class 1062
External ID CHEMBL265482 External Source CHEMBL
PubChem CID 10653181 Functional Category Bioactive
Molecule Name 3-(1-benzyl-3-oxo-1H-isoindol-2-yl)propyl-[6-[3-(1-benzyl-3-oxo-1H-isoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;dibromide
IUPAC Name 3-(1-benzyl-3-oxo-1H-isoindol-2-yl)propyl-[6-[3-(1-benzyl-3-oxo-1H-isoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;dibromide
Synonyms
InChi InChI=1S/C46H60N4O2.2BrH/c1-49(2,33-19-29-47-43(35-37-21-9-7-10-22-37)39-25-13-15-27-41(39)45(47)51)31-17-5-6-18-32-50(3,4)34-20-30-48-44(36-38-23-11-8-12-24-38)40-26-14-16-28-42(40)46(48)52;;/h7-16,21-28,43-44H,5-6,17-20,29-36H2,1-4H3;2*1H/q+2;;/p-2
InChiKey QELVGGSIKXLUTG-UHFFFAOYSA-L
Formula C46H60N4O2.2Br Molecular Weight 860.80
Cross Link CHEMBL265482
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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