CFam Chemical Families Database
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You are searching for "CFAMM00383042" in compound.

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CFAM Mol ID CFAMM00383042
Family CFFBM7784 Melanocortin receptor 4 and Melanocortin receptor 5 ligand (2S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-(2-methylpropyl)piperazine-2-carboxamide;2,2,2-trifluoroacetic acid family
Superfamily CFSBM4285 Histamine H3 receptor and Melanocortin receptor 4 Binder Superfamily
Class CFCBM181 Class 3231
External ID CHEMBL2028958 External Source CHEMBL
PubChem CID 70696210 Functional Category Bioactive
Molecule Name (2S,5R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-cyclopropylpiperazine-2-carboxamide;2,2-difluoropropanoic acid;2,2,2-trifluoroacetic acid
IUPAC Name (2S,5R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-cyclopropylpiperazine-2-carboxamide;2,2-difluoropropanoic acid;2,2,2-trifluoroacetic acid
Synonyms
InChi InChI=1S/C33H50FN5O3.C3H4F2O2.C2HF3O2/c1-32(2,3)38-31(42)33(24-7-5-4-6-8-24)15-17-39(18-16-33)30(41)26(19-22-9-13-25(34)14-10-22)37-29(40)28-21-35-27(20-36-28)23-11-12-23;1-3(4,5)2(6)7;3-2(4,5)1(6)7/h9-10,13-14,23-24,26-28,35-36H,4-8,11-12,15-21H2,1-3H3,(H,37,40)(H,38,42);1H3,(H,6,7);(H,6,7)/t26-,27+,28+;;/m1../s1
InChiKey GHBKSFIGXRGXEK-UZKJHTDFSA-N
Formula C38H55F6N5O7 Molecular Weight 807.86
Cross Link CHEMBL2028958
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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