CFam Chemical Families Database
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You are searching for "CFAMM00434742" in compound.

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CFAM Mol ID CFAMM00434742
Family CFFBM15553 Neuromedin-B receptor and Gastrin-releasing peptide receptor ligand (2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[(1-phenylcyclohexyl)methyl]propanamide family
Superfamily CFSBM6638 KiSS-1 receptor and Neuromedin-B receptor Binder Superfamily
Class CFCCD27 Class 840
External ID CHEMBL327388 External Source CHEMBL
PubChem CID 44321212 Functional Category Bioactive
Molecule Name (2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[[1-(4-nitrophenyl)cyclohexyl]methyl]propanamide
IUPAC Name (2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[[1-(4-nitrophenyl)cyclohexyl]methyl]propanamide
Synonyms CHEBI:240725
InChi InChI=1S/C32H34N6O6/c1-31(19-22-20-33-28-8-4-3-7-27(22)28,36-30(40)35-24-11-15-26(16-12-24)38(43)44)29(39)34-21-32(17-5-2-6-18-32)23-9-13-25(14-10-23)37(41)42/h3-4,7-16,20,33H,2,5-6,17-19,21H2,1H3,(H,34,39)(H2,35,36,40)/t31-/m0/s1
InChiKey XPRDWAMLFOLCLZ-HKBQPEDESA-N
Formula C32H34N6O6 Molecular Weight 598.65
Cross Link CHEMBL327388
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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