General Information of the Compound
| Compound ID |
CP0512657
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| Compound Name |
US9187429, 102
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| Structure |
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| Formula |
C17H15F3N2O2
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| Molecular Weight |
336.313
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| Canonical SMILES |
NC(=O)COC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H15F3N2O2/c18-17(19,20)11-3-1-10(2-4-11)13-7-22-8-14-12(13)5-6-15(14)24-9-16(21)23/h1-4,7-8,15H,5-6,9H2,(H2,21,23)
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| InChIKey |
QOSYRRUDRXVWDD-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