CFam Chemical Families Database
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You are searching for "CFAMM00101810" in compound.

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CFAM Mol ID CFAMM00101810
Family CFFAD765 Mu-type opioid receptor Ligand Alvimopan Family
Superfamily CFSAD641 Mu-type opioid receptor Ligand Alvimopan Superfamily
Class CFCAD323 Class 323
External ID CHEMBL3038186 External Source CHEMBL
PubChem CID 73352754 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-2-[[(3S)-2-[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
IUPAC Name (2S)-2-[[(2S)-2-[[(3S)-2-[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
InChi InChI=1S/C40H44N6O6/c1-24-17-30(47)18-25(2)31(24)22-33(45-40(41)42)38(50)46-23-29-16-10-9-15-28(29)21-35(46)37(49)43-32(19-26-11-5-3-6-12-26)36(48)44-34(39(51)52)20-27-13-7-4-8-14-27/h3-18,32-35,47H,19-23H2,1-2H3,(H,43,49)(H,44,48)(H,51,52)(H4,41,42,45)/t32-,33-,34-,35-/m0/s1
Formula C40H44N6O6 Molecular Weight 704.81
Cross Link CHEMBL3038186

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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