General Information of the Compound
| Compound ID |
CP0426326
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| Compound Name |
US9187429, 103
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| Structure |
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| Formula |
C20H20F3NO2
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| Molecular Weight |
363.379
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| Canonical SMILES |
CC1(COC2CCc3c2cncc3-c2ccc(cc2)C(F)(F)F)COC1
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| InChI |
InChI=1S/C20H20F3NO2/c1-19(10-25-11-19)12-26-18-7-6-15-16(8-24-9-17(15)18)13-2-4-14(5-3-13)20(21,22)23/h2-5,8-9,18H,6-7,10-12H2,1H3
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| InChIKey |
NAPVCBYVZVATQN-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