CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00161735" in compound.

Total 1 results found.

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 CFAMM00161735
Family CFFCD514 Substance-P receptor Ligand Vestipitant Family
Superfamily CFSCD471 Substance-P receptor Ligand Vestipitant Superfamily
Class CFCCD335 Class 1148
External ID CHEMBL1237328 External Source CHEMBL
PubChem CID 52947853 Functional Category Bioactive
Molecule Name (Z)-but-2-enedioic acid;1-[2-[4-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
IUPAC Name (Z)-but-2-enedioic acid;1-[2-[4-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
InChi InChI=1S/C24H28F2N4O.2C4H4O4/c25-18-3-1-17(2-4-18)21-16-23(22-15-19(26)5-6-20(21)22)29-12-9-28(10-13-29)11-14-30-8-7-27-24(30)31;2*5-3(6)1-2-4(7)8/h1-6,15,21,23H,7-14,16H2,(H,27,31);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-/t21-,23+;;/m1../s1
Formula C32H36F2N4O9 Molecular Weight 658.65
Cross Link CHEMBL1237328

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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