General Information of the Compound
| Compound ID |
CP0527236
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| Compound Name |
US9120756, 128
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| Structure |
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| Formula |
C24H25ClFN3O3S
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| Molecular Weight |
490
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C1CC1)c1ccc(CS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H25ClFN3O3S/c1-15(17-8-9-18(22(26)10-17)14-33(2,31)32)24(30)27-13-21-12-23(16-6-7-16)28-29(21)20-5-3-4-19(25)11-20/h3-5,8-12,15-16H,6-7,13-14H2,1-2H3,(H,27,30)
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| InChIKey |
HBJMTEPLNQVIGA-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