General Information of the Compound
| Compound ID |
CP0431793
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| Compound Name |
US9079902, 20
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| Structure |
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| Formula |
C25H19F6N5O2S2
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| Molecular Weight |
599.582
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| Canonical SMILES |
Cc1sc(NS(=O)(=O)c2ccc3c(cn(C)c3c2)-c2ccc(cc2-c2ccnn2C)C(F)(F)F)nc1C(F)(F)F
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| InChI |
InChI=1S/C25H19F6N5O2S2/c1-13-22(25(29,30)31)33-23(39-13)34-40(37,38)15-5-7-17-19(12-35(2)21(17)11-15)16-6-4-14(24(26,27)28)10-18(16)20-8-9-32-36(20)3/h4-12H,1-3H3,(H,33,34)
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| InChIKey |
RZIJZEQYJDMDRR-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