CFam Chemical Families Database
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You are searching for "CFAMM00135410" in compound.

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CFAM Mol ID CFAMM00135410
Family CFFCD122 Neuromedin-K receptor Ligand Osanetant Family
Superfamily CFSCD111 Neuromedin-K receptor Ligand Osanetant Superfamily
Class CFCCD95 Class 908
External ID CHEMBL413972 External Source CHEMBL
PubChem CID 461871 Functional Category Bioactive
Molecule Name AC1LA4ZR
IUPAC Name [4-[(3S)-4-[(1S)-1-[4-[(3-chlorophenyl)methyl]phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(2,6-dimethylphenyl)methanone
Synonyms CHEBI:206039;[4-[(3S)-4-[(1S)-1-[4-[(3-chlorophenyl)methyl]phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(2,6-dimethylphenyl)methanone;Piperazine, 1-[(1S)-1-[4-[(3-chlorophenyl)methyl]phenyl]ethyl]-4-[1-(2,6-dimethylbenzoyl)-4-piperidinyl]-2-methyl-, (2S)-
InChi InChI=1S/C34H42ClN3O/c1-24-7-5-8-25(2)33(24)34(39)36-17-15-32(16-18-36)37-19-20-38(26(3)23-37)27(4)30-13-11-28(12-14-30)21-29-9-6-10-31(35)22-29/h5-14,22,26-27,32H,15-21,23H2,1-4H3/t26-,27-/m0/s1
InChiKey KCBPRDRJOWCGOP-SVBPBHIXSA-N
Formula C34H42ClN3O Molecular Weight 544.17
Cross Link CHEMBL413972
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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