CFam Chemical Families Database
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You are searching for "CFAMM00298087" in compound.

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CFAM Mol ID CFAMM00298087
Family CFFID3808 Delta-type opioid receptor and Mu-type opioid receptor Ligand H-dmt-tic-nh-ch2-indn Family
Superfamily CFSID451 Mu-type opioid receptor and Delta-type opioid receptor Binder Superfamily
Class CFCID314 Class 1664
External ID CHEMBL232813 External Source CHEMBL
PubChem CID 44431281 Functional Category Bioactive
Molecule Name (3S)-N-[(5S)-5-acetamido-6-(benzylamino)-6-oxohexyl]-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
IUPAC Name (3S)-N-[(5S)-5-acetamido-6-(benzylamino)-6-oxohexyl]-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Synonyms CHEBI:495495
InChi InChI=1S/C36H45N5O5/c1-23-17-29(43)18-24(2)30(23)20-31(37)36(46)41-22-28-14-8-7-13-27(28)19-33(41)35(45)38-16-10-9-15-32(40-25(3)42)34(44)39-21-26-11-5-4-6-12-26/h4-8,11-14,17-18,31-33,43H,9-10,15-16,19-22,37H2,1-3H3,(H,38,45)(H,39,44)(H,40,42)/t31-,32-,33-/m0/s1
Formula C36H45N5O5 Molecular Weight 627.77
Cross Link CHEMBL232813

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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