General Information of the Compound
| Compound ID |
CP0072458
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| Compound Name |
6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
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| Structure |
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| Formula |
C26H25F2N5O2
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| Molecular Weight |
477.515
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| Canonical SMILES |
CN(C)CCCOc1cnc(nc1)-c1cccc(Cn2nc(ccc2=O)-c2cc(F)cc(F)c2)c1
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| InChI |
InChI=1S/C26H25F2N5O2/c1-32(2)9-4-10-35-23-15-29-26(30-16-23)19-6-3-5-18(11-19)17-33-25(34)8-7-24(31-33)20-12-21(27)14-22(28)13-20/h3,5-8,11-16H,4,9-10,17H2,1-2H3
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| InChIKey |
QWXKBTBMVIBWPV-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