General Information of the Compound
| Compound ID |
CP0539985
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| Compound Name |
US10300060, Example 15-96
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| Structure |
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| Formula |
C24H18F4N6O4S
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| Molecular Weight |
562.505
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(F)cnc2N)nc1)C(F)(F)F
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| InChI |
InChI=1S/C24H18F4N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)
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| InChIKey |
LCDIDOMVCPMAHN-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