General Information of the Compound
| Compound ID |
CP0492959
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| Compound Name |
US9422235, 73
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| Structure |
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| Formula |
C16H15ClF3N3O2S
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| Molecular Weight |
405.829
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| Canonical SMILES |
FC(F)(F)c1cc(Nc2cccnc2Cl)ccc1S(=O)(=O)NCC1CC1
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| InChI |
InChI=1S/C16H15ClF3N3O2S/c17-15-13(2-1-7-21-15)23-11-5-6-14(12(8-11)16(18,19)20)26(24,25)22-9-10-3-4-10/h1-2,5-8,10,22-23H,3-4,9H2
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| InChIKey |
PAKBVBIXBHXATQ-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