CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00157275" 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 CFAMM00157275
Family CFFCD421 Substance-P receptor Ligand Ezlopitant Family
Superfamily CFSCD383 Substance-P receptor Ligand Ezlopitant Superfamily
Class CFCAD120 Class 120
External ID CHEMBL207914 External Source CHEMBL
PubChem CID 44411504 Functional Category Bioactive
Molecule Name (E)-but-2-enedioic acid;N-(2-methylpropyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
IUPAC Name (E)-but-2-enedioic acid;N-(2-methylpropyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
Synonyms CHEBI:447472
InChi InChI=1S/C17H25F3N2O.C4H4O4/c1-13(2)11-22(15-7-9-21-10-8-15)12-14-5-3-4-6-16(14)23-17(18,19)20;5-3(6)1-2-4(7)8/h3-6,13,15,21H,7-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
Formula C17H25F3N2O.C4H4O4 Molecular Weight 446.46
Cross Link CHEMBL207914

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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