General Information of the Compound
| Compound ID |
CP0156410
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| Compound Name |
6-(3,5-difluorophenyl)-2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]pyridazin-3-one
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| Structure |
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| Formula |
C22H16F2N4O
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| Molecular Weight |
390.393
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| Canonical SMILES |
Cc1cnc(nc1)-c1cccc(Cn2nc(ccc2=O)-c2cc(F)cc(F)c2)c1
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| InChI |
InChI=1S/C22H16F2N4O/c1-14-11-25-22(26-12-14)16-4-2-3-15(7-16)13-28-21(29)6-5-20(27-28)17-8-18(23)10-19(24)9-17/h2-12H,13H2,1H3
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| InChIKey |
XWDNKEHWOTTWBY-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