CFam Chemical Families Database
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You are searching for "CFAMM00397333" in compound.

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CFAM Mol ID CFAMM00397333
Family CFFBM9690 C-C chemokine receptor type 3 ligand 1-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea family
Superfamily CFSID1919 Histamine H4 receptor Ligand A-943931 Superfamily
Class CFCCD11 Class 824
External ID CHEMBL195555 External Source CHEMBL
PubChem CID 11454941 Functional Category Bioactive
Molecule Name 1-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
IUPAC Name 1-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
Synonyms CHEBI:424127
InChi InChI=1S/C28H36FN7O/c1-20-32-33-34-36(20)26-9-4-8-25(17-26)30-28(37)31-27-10-3-2-7-23(27)19-35-15-5-6-22(18-35)16-21-11-13-24(29)14-12-21/h4,8-9,11-14,17,22-23,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t22-,23-,27+/m0/s1
InChiKey QLTHBTHVYYXPHB-VMODYCNZSA-N
Formula C28H36FN7O Molecular Weight 505.63
Cross Link CHEMBL195555
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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