General Information of the Compound
| Compound ID |
CP0518456
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| Compound Name |
US9409915, 53
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| Structure |
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| Formula |
C25H28ClF3N6O
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| Molecular Weight |
520.987
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| Canonical SMILES |
CN(C)CCOc1nc(cc2nc([nH]c12)-c1c(Cl)c(nn1C)C(C)(C)C)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C25H28ClF3N6O/c1-24(2,3)21-18(26)20(35(6)33-21)22-30-17-13-16(14-9-7-8-10-15(14)25(27,28)29)31-23(19(17)32-22)36-12-11-34(4)5/h7-10,13H,11-12H2,1-6H3,(H,30,32)
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| InChIKey |
KONOROVOTNCQLF-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