CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00172902" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00172902
Family CFFCD837 Eluxadoline family
Superfamily CFSCD739 Eluxadoline Superfamily
Class CFCAD546 Class 546
External ID CHEMBL2159120 External Source CHEMBL
PubChem CID 59345567 Functional Category Bioactive
Molecule Name 3-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoic acid
IUPAC Name 3-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoic acid
Synonyms SureCN12507203
InChi InChI=1S/C31H33N5O4/c1-18-12-24(28(33)37)13-19(2)25(18)15-26(32)30(38)36(17-21-8-7-11-23(14-21)31(39)40)20(3)29-34-16-27(35-29)22-9-5-4-6-10-22/h4-14,16,20,26H,15,17,32H2,1-3H3,(H2,33,37)(H,34,35)(H,39,40)/t20-,26-/m0/s1
Formula C31H33N5O4 Molecular Weight 539.62
Cross Link CHEMBL2159120

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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