CFam Chemical Families Database
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You are searching for "CFAMM00383037" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00383037
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 CHEMBL2113031 External Source CHEMBL
PubChem CID 71452720 Functional Category Bioactive
Molecule Name (1R,4S,5R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3-azabicyclo[2.2.2]octane-5-carboxamide
IUPAC Name (1R,4S,5R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3-azabicyclo[2.2.2]octane-5-carboxamide
Synonyms
InChi InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26-,27+,28-/m1/s1
InChiKey KHTORJRLHSSEND-NNTQFHGGSA-N
Formula C33H49FN4O3 Molecular Weight 568.77
Cross Link CHEMBL2113031
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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