CFam Chemical Families Database
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You are searching for "CFAMM00101686" in compound.

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CFAM Mol ID CFAMM00101686
Family CFFAD765 Mu-type opioid receptor Ligand Alvimopan Family
Superfamily CFSAD641 Mu-type opioid receptor Ligand Alvimopan Superfamily
Class CFCAD323 Class 323
External ID CHEMBL119535 External Source CHEMBL
PubChem CID 44344689 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-2-[[2-[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-(methylamino)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]-3-phenylpropanoyl]amino]-3-phenylpropanamide
IUPAC Name (2S)-2-[[(2S)-2-[[2-[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-(methylamino)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]-3-phenylpropanoyl]amino]-3-phenylpropanamide
Synonyms CHEBI:294066
InChi InChI=1S/C40H47N5O4/c1-26-18-33(46)19-27(2)34(26)23-37(42-3)40(49)45-25-31-17-11-10-16-30(31)22-32(45)24-43-36(21-29-14-8-5-9-15-29)39(48)44-35(38(41)47)20-28-12-6-4-7-13-28/h4-19,32,35-37,42-43,46H,20-25H2,1-3H3,(H2,41,47)(H,44,48)/t32?,35-,36-,37-/m0/s1
InChiKey IWXDXQSRKMEUGG-AGDWLBJDSA-N
Formula C40H47N5O4 Molecular Weight 661.83
Cross Link CHEMBL119535
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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