CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00213430" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00213430
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 CHEMBL146183 External Source CHEMBL
PubChem CID 44364761 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-2-[[(3S)-2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-(4-isothiocyanatophenyl)propanoyl]amino]-3-phenylpropanoic acid
IUPAC Name (2S)-2-[[(2S)-2-[[(3S)-2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-(4-isothiocyanatophenyl)propanoyl]amino]-3-phenylpropanoic acid
Synonyms CHEBI:345344
InChi InChI=1S/C38H37N5O6S/c39-31(18-25-12-16-30(44)17-13-25)37(47)43-22-28-9-5-4-8-27(28)21-34(43)36(46)41-32(19-26-10-14-29(15-11-26)40-23-50)35(45)42-33(38(48)49)20-24-6-2-1-3-7-24/h1-17,31-34,44H,18-22,39H2,(H,41,46)(H,42,45)(H,48,49)/t31?,32-,33-,34-/m0/s1
Formula C38H37N5O6S Molecular Weight 691.80
Cross Link CHEMBL146183

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).

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