General Information of the Compound
| Compound ID |
CP0548920
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| Compound Name |
US9409915, 93
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| Structure |
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| Formula |
C24H25ClF3N5O2
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| Molecular Weight |
507.944
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| Canonical SMILES |
CC(C)Oc1nc(cc2nc([nH]c12)-c1c(Cl)c(nn1C)C(C)(C)C)-c1ccccc1OC(F)(F)F
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| InChI |
InChI=1S/C24H25ClF3N5O2/c1-12(2)34-22-18-15(11-14(30-22)13-9-7-8-10-16(13)35-24(26,27)28)29-21(31-18)19-17(25)20(23(3,4)5)32-33(19)6/h7-12H,1-6H3,(H,29,31)
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| InChIKey |
MNZWMLWHGWJAIY-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