General Information of the Compound
| Compound ID |
CP0412035
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| Compound Name |
US9120756, 28
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| Structure |
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| Formula |
C22H22ClF3N4O4S
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| Molecular Weight |
530.956
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| Canonical SMILES |
COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F
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| InChI |
InChI=1S/C22H22ClF3N4O4S/c1-13(14-7-8-18(19(9-14)34-2)29-35(3,32)33)21(31)27-12-17-11-20(22(24,25)26)28-30(17)16-6-4-5-15(23)10-16/h4-11,13,29H,12H2,1-3H3,(H,27,31)
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| InChIKey |
BJOHMPNMJMXUFX-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