CFam Chemical Families Database
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You are searching for "CFAMM00440817" in compound.

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CFAM Mol ID CFAMM00440817
Family CFFBM17157 C-C chemokine receptor type 5 ligand 1-[4-(3-chlorophenyl)-4-[2-[(1R,5R)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one family
Superfamily CFSBM4401 Histamine H3 receptor and C-C chemokine receptor type 5 Binder Superfamily
Class CFCID1689 Class 3039
External ID CHEMBL501085 External Source CHEMBL
PubChem CID 44568904 Functional Category Bioactive
Molecule Name 1-[4-(3,4-dichlorophenyl)-4-[2-[(1R,5R)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
IUPAC Name 1-[4-(3,4-dichlorophenyl)-4-[2-[(1R,5R)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
Synonyms
InChi InChI=1S/C33H42Cl2N4O/c1-22-36-29-7-5-6-8-30(29)39(22)26-20-24-10-11-25(21-26)38(24)18-15-33(23-9-12-27(34)28(35)19-23)13-16-37(17-14-33)31(40)32(2,3)4/h5-9,12,19,24-26H,10-11,13-18,20-21H2,1-4H3/t24-,25-/m1/s1
InChiKey WBMRGUYVKHMYAF-JWQCQUIFSA-N
Formula C33H42Cl2N4O Molecular Weight 581.62
Cross Link CHEMBL501085
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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