General Information of the Compound
| Compound ID |
CP0553209
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| Compound Name |
US9969687, Compound 239
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| Structure |
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| Formula |
C24H21ClFN3O4S
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| Molecular Weight |
501.967
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3ncccc3F)C(=O)c12
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| InChI |
InChI=1S/C24H21ClFN3O4S/c1-24(2,3)14-6-8-15(9-7-14)34(32,33)28-18-11-10-16(25)20-21(18)23(31)29(22(20)30)13-19-17(26)5-4-12-27-19/h4-12,28H,13H2,1-3H3
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| InChIKey |
CGUSHNGXBLNVHT-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