CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00421177" 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 CFAMM00421177
Family CFFBM13232 Renin and Cytochrome P450 3A4 inhibitor AGN-PC-046RG9 family
Superfamily CFSID1584 Melanin-concentrating hormone receptor 1 Binder Superfamily
Class CFCID896 Class 2246
External ID CHEMBL241663 External Source CHEMBL
PubChem CID 23647907 Functional Category Bioactive
Molecule Name (2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-2-methyl-4-(4,4,4-trifluorobutyl)-1,4-benzoxazin-3-one
IUPAC Name (2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-2-methyl-4-(4,4,4-trifluorobutyl)-1,4-benzoxazin-3-one
Synonyms 1,4-benzoxazin-3-one, (S)-47
InChi InChI=1S/C25H24F5N5O2/c1-3-17-20(21(31)34-23(32)33-17)13-5-6-19-18(9-13)35(8-4-7-25(28,29)30)22(36)24(2,37-19)14-10-15(26)12-16(27)11-14/h5-6,9-12H,3-4,7-8H2,1-2H3,(H4,31,32,33,34)/t24-/m0/s1
Formula C25H24F5N5O2 Molecular Weight 521.48
Cross Link CHEMBL241663

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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