CFam Chemical Families Database
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You are searching for "CFAMM00213428" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00213428
Family CFFID556 Delta-type opioid receptor and Mu-type opioid receptor Ligand H-dmt-tic-(2s,3s)-beta-mecha-phe-oh Family
Superfamily CFSID451 Mu-type opioid receptor and Delta-type opioid receptor Binder Superfamily
Class CFCID314 Class 1664
External ID CHEMBL2028970 External Source CHEMBL
PubChem CID 70696212 Functional Category Bioactive
Molecule Name benzyl N-[(5S)-5-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-6-anilino-6-oxohexyl]carbamate
IUPAC Name benzyl N-[(5S)-5-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-6-anilino-6-oxohexyl]carbamate
Synonyms
InChi InChI=1S/C41H47N5O6/c1-27-21-33(47)22-28(2)34(27)24-35(42)40(50)46-25-31-16-10-9-15-30(31)23-37(46)39(49)45-36(38(48)44-32-17-7-4-8-18-32)19-11-12-20-43-41(51)52-26-29-13-5-3-6-14-29/h3-10,13-18,21-22,35-37,47H,11-12,19-20,23-26,42H2,1-2H3,(H,43,51)(H,44,48)(H,45,49)/t35-,36-,37-/m0/s1
InChiKey MJVSDWUKXXUPBE-FSEITFBQSA-N
Formula C41H47N5O6 Molecular Weight 705.84
Cross Link CHEMBL2028970
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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