General Information of the Compound
| Compound ID |
CP0512656
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| Compound Name |
US9187429, 94
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| Structure |
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| Formula |
C18H17F3N2O2S
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| Molecular Weight |
382.407
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1cncc2C(CCc12)NS(=O)(=O)C1CC1
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| InChI |
InChI=1S/C18H17F3N2O2S/c19-18(20,21)12-3-1-11(2-4-12)15-9-22-10-16-14(15)7-8-17(16)23-26(24,25)13-5-6-13/h1-4,9-10,13,17,23H,5-8H2
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| InChIKey |
WXLZPMOUEMUHHE-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial