CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00171087" 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 CFAMM00171087
Family CFFCD763 Elagolix family
Superfamily CFSCD672 Elagolix Superfamily
Class CFCCD190 Class 1003
External ID DNC004857 External Source TTD
PubChem CID 11167850 Functional Category Investigative Drug
Molecule Name NBI-42902
IUPAC Name 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
Synonyms 352290-60-9;UNII-3FWQ4MD98O;SureCN5758034;CHEMBL179691;GTPL1178;GTPL1187;CHEBI:399187;DNC004857;NBI 42902;[3H]NBI-49202
InChi InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1
Formula C27H24F3N3O3 Molecular Weight 495.49
Cross Link CHEMBL179691

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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