CFam Chemical Families Database
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You are searching for "CFAMM00258740" in compound.

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CFAM Mol ID CFAMM00258740
Family CFFID2069 Delta-type opioid receptor and Mu-type opioid receptor Ligand 1,4-bis-(dmt-tic-amino)butane Family
Superfamily CFSID451 Mu-type opioid receptor and Delta-type opioid receptor Binder Superfamily
Class CFCID314 Class 1664
External ID DNC012903 External Source TTD
PubChem CID 44405153 Functional Category Investigative Drug
Molecule Name 1,6-bis-(N,N-dimethyl-Dmt-Tic-NH)hexane
IUPAC Name 2-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[6-[[2-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Synonyms CHEBI:431981;DNC012903;1,6-bis-(N,N-dimethyl-Dmt-Tic-NH)hexane
InChi InChI=1S/C52H68N6O6/c1-33-23-41(59)24-34(2)43(33)29-47(55(5)6)51(63)57-31-39-19-13-11-17-37(39)27-45(57)49(61)53-21-15-9-10-16-22-54-50(62)46-28-38-18-12-14-20-40(38)32-58(46)52(64)48(56(7)8)30-44-35(3)25-42(60)26-36(44)4/h11-14,17-20,23-26,45-48,59-60H,9-10,15-16,21-22,27-32H2,1-8H3,(H,53,61)(H,54,62)/t45?,46?,47-,48-/m0/s1
InChiKey WQLMNYRHCQXDKA-QYXCYUBVSA-N
Formula C52H68N6O6 Molecular Weight 873.13
Cross Link CHEMBL370399
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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