CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00101759" in compound.

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CFAM Mol ID CFAMM00101759
Family CFFAD765 Mu-type opioid receptor Ligand Alvimopan Family
Superfamily CFSAD641 Mu-type opioid receptor Ligand Alvimopan Superfamily
Class CFCAD323 Class 323
External ID CHEMBL553149 External Source CHEMBL
PubChem CID 45261279 Functional Category Bioactive
Molecule Name methyl (4R,13R)-13-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,12-dioxo-1,2-dithia-5,11-diazacyclotetradecane-4-carboxylate;hydrochloride
IUPAC Name methyl (4R,13R)-13-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,12-dioxo-1,2-dithia-5,11-diazacyclotetradecane-4-carboxylate;hydrochloride
InChi InChI=1S/C34H48N4O6S2.ClH/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4;/h8-10,12-13,16-17,23,26-28,39H,11,14-15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40);1H/t23?,26-,27+,28+;/m0./s1
Formula C34H49ClN4O6S2 Molecular Weight 709.36
Cross Link CHEMBL553149

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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