General Information of the Compound
| Compound ID |
CP0556186
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| Compound Name |
US9162979, 16
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| Structure |
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| Formula |
C22H22FN3O7S
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| Molecular Weight |
491.497
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| Canonical SMILES |
Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C(N)C(=O)OCCON(=O)=O
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| InChI |
InChI=1S/C22H22FN3O7S/c1-14-19(21(24)22(27)32-11-12-33-26(28)29)13-20(25(14)17-7-5-16(23)6-8-17)15-3-9-18(10-4-15)34(2,30)31/h3-10,13,21H,11-12,24H2,1-2H3
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| InChIKey |
QJLPOYOMVVGYGX-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