CFam Chemical Families Database
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You are searching for "CFAMM00326633" in compound.

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CFAM Mol ID CFAMM00326633
Family CFFBM1711 Kappa-type opioid receptor and Mu-type opioid receptor ligand SureCN6627224 family
Superfamily CFSBM940 Kappa-type opioid receptor and Histamine H3 receptor Binder Superfamily
Class CFCBM369 Class 3419
External ID CHEMBL268722 External Source CHEMBL
PubChem CID 44441686 Functional Category Bioactive
Molecule Name (2R)-N-[(2S)-1-[4-(tert-butylcarbamoyl)-4-(2-methylbutan-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methylpiperazine-2-carboxamide
IUPAC Name (2R)-N-[(2S)-1-[4-(tert-butylcarbamoyl)-4-(2-methylbutan-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methylpiperazine-2-carboxamide
Synonyms CHEBI:513397
InChi InChI=1S/C30H48FN5O3/c1-8-29(5,6)30(27(39)34-28(2,3)4)13-16-36(17-14-30)26(38)23(19-21-9-11-22(31)12-10-21)33-25(37)24-20-35(7)18-15-32-24/h9-12,23-24,32H,8,13-20H2,1-7H3,(H,33,37)(H,34,39)/t23-,24+/m0/s1
InChiKey NDOKGGMXMSAVRI-BJKOFHAPSA-N
Formula C30H48FN5O3 Molecular Weight 545.73
Cross Link CHEMBL268722
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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