CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00183500" in compound.

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CFAM Mol ID CFAMM00183500
Family CFFID188 Neuropeptide Y receptor type 1 Ligand Bibp 3226 Family
Superfamily CFSAD641 Mu-type opioid receptor Ligand Alvimopan Superfamily
Class CFCAD323 Class 323
External ID CHEMBL3038185 External Source CHEMBL
PubChem CID 73354258 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-isoquinolin-3-yl]methylamino]-3-phenylpropanoyl]amino]-3-phenylpropanamide
IUPAC Name (2S)-2-[[(2S)-2-[[(3S)-2-[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]-3-phenylpropanoyl]amino]-3-phenylpropanamide
InChi InChI=1S/C40H47N7O4/c1-25-17-32(48)18-26(2)33(25)22-36(46-40(42)43)39(51)47-24-30-16-10-9-15-29(30)21-31(47)23-44-35(20-28-13-7-4-8-14-28)38(50)45-34(37(41)49)19-27-11-5-3-6-12-27/h3-18,31,34-36,44,48H,19-24H2,1-2H3,(H2,41,49)(H,45,50)(H4,42,43,46)/t31-,34-,35-,36-/m0/s1
Formula C40H47N7O4 Molecular Weight 689.85
Cross Link CHEMBL3038185

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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National University of Singapore, Singapore

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