CFam Chemical Families Database
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You are searching for "CFAMM00484089" in compound.

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CFAM Mol ID CFAMM00484089
Family CFFBM27811 C-C chemokine receptor type 5 ligand AC1LAKMT family
Superfamily CFSBM7094 Histamine H3 receptor and C-C chemokine receptor type 5 Binder Superfamily 2
Class CFCBM1208 Class 4258
External ID CHEMBL327898 External Source CHEMBL
PubChem CID 490006 Functional Category Bioactive
Molecule Name AC1LAKME
IUPAC Name methyl N-[1-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate
Synonyms CTK6J2783;CHEBI:251108;AG-K-53199;Carbamic acid, (cyclopentylmethyl)[1-[[(3S,4S)-4-phenyl-1-(phenylmethyl)-3-pyrrolidinyl]methyl]-4-piperidinyl]-, methyl ester;methyl N-[1-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate;methyl(1-{[(3s,4s)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl}piperidin-4-yl)(cyclopentylmethyl)carbamate
InChi InChI=1S/C31H43N3O2/c1-36-31(35)34(21-26-12-8-9-13-26)29-16-18-32(19-17-29)22-28-23-33(20-25-10-4-2-5-11-25)24-30(28)27-14-6-3-7-15-27/h2-7,10-11,14-15,26,28-30H,8-9,12-13,16-24H2,1H3/t28-,30+/m0/s1
InChiKey GDFLQYPZLFZIII-MFMCTBQISA-N
Formula C31H43N3O2 Molecular Weight 489.69
Cross Link CHEMBL327898
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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