CFam Chemical Families Database
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You are searching for "CFAMM00444084" in compound.

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CFAM Mol ID CFAMM00444084
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 CHEMBL481068 External Source CHEMBL
PubChem CID 44590394 Functional Category Bioactive
Molecule Name N-benzyl-N-[(3R)-1-[(1S,5R)-8-(2,6-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide
IUPAC Name N-benzyl-N-[(3R)-1-[(1S,5R)-8-(2,6-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide
Synonyms CHEBI:617810
InChi InChI=1S/C31H39N3O2/c1-21-7-6-8-22(2)29(21)31(36)34-25-13-14-26(34)18-28(17-25)32-16-15-27(20-32)33(30(35)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-28H,11-20H2,1-2H3/t25-,26+,27-,28-/m1/s1
InChiKey HLJVPZZJNNJNAJ-JUDWXZBOSA-N
Formula C31H39N3O2 Molecular Weight 485.66
Cross Link CHEMBL481068
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
Professor in Department of Pharmacy
National University of Singapore, Singapore


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