General Information of the Compound
| Compound ID |
CP0317788
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| Compound Name |
7-(1-cyclopropylpyrazol-4-yl)-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one
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| Formula |
C26H30FN7O3S
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| Molecular Weight |
539.637
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| Canonical SMILES |
CN1CCN(CC1)S(=O)(=O)c1ccc(NC2=C(C)C(=O)N3C=C(C=CC3N2)c2cnn(c2)C2CC2)c(F)c1
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| InChI |
InChI=1S/C26H30FN7O3S/c1-17-25(29-23-7-6-21(13-22(23)27)38(36,37)32-11-9-31(2)10-12-32)30-24-8-3-18(15-33(24)26(17)35)19-14-28-34(16-19)20-4-5-20/h3,6-8,13-16,20,24,29-30H,4-5,9-12H2,1-2H3
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| InChIKey |
PMHCSLRDQVEIIJ-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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