CFam Chemical Families Database
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You are searching for "CFAMM00421198" 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 CFAMM00421198
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 CHEMBL429459 External Source CHEMBL
PubChem CID 23647897 Functional Category Bioactive
Molecule Name AGN-PC-046RGD
IUPAC Name 6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(4-hydroxybutyl)-2-methyl-1,4-benzoxazin-3-one
Synonyms 1,4-benzoxazin-3-one, 37;6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(4-hydroxybutyl)-2-methyl-1,4-benzoxazin-3-one
InChi InChI=1S/C25H27F2N5O3/c1-3-18-21(22(28)31-24(29)30-18)14-6-7-20-19(10-14)32(8-4-5-9-33)23(34)25(2,35-20)15-11-16(26)13-17(27)12-15/h6-7,10-13,33H,3-5,8-9H2,1-2H3,(H4,28,29,30,31)
Formula C25H27F2N5O3 Molecular Weight 483.51
Cross Link CHEMBL429459

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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