General Information of the Compound
| Compound ID |
CP0242851
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| Compound Name |
9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one
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| Structure |
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| Formula |
C23H13F4N5O
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| Molecular Weight |
451.383
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| Canonical SMILES |
Nc1ncc(cn1)-c1ccc2ncc3ccc(=O)n(-c4ccc(F)c(c4)C(F)(F)F)c3c2c1
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| InChI |
InChI=1S/C23H13F4N5O/c24-18-4-3-15(8-17(18)23(25,26)27)32-20(33)6-2-13-9-29-19-5-1-12(7-16(19)21(13)32)14-10-30-22(28)31-11-14/h1-11H,(H2,28,30,31)
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| InChIKey |
FBVHMAKBERSOGA-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound