General Information of the Compound
| Compound ID |
CP0559277
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| Compound Name |
US9434711, 512
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| Structure |
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| Formula |
C24H14ClF4N3O4S2
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| Molecular Weight |
583.972
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| Canonical SMILES |
Fc1ccc(CN(c2sc3ccccc3c2Cl)S(=O)(=O)c2ccc(cc2)-c2noc(=O)[nH]2)cc1C(F)(F)F
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| InChI |
InChI=1S/C24H14ClF4N3O4S2/c25-20-16-3-1-2-4-19(16)37-22(20)32(12-13-5-10-18(26)17(11-13)24(27,28)29)38(34,35)15-8-6-14(7-9-15)21-30-23(33)36-31-21/h1-11H,12H2,(H,30,31,33)
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| InChIKey |
QZPUDNMBRZOFCD-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