General Information of the Compound
| Compound ID |
CP0556970
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| Compound Name |
US9187429, 97
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| Structure |
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| Formula |
C21H22F3NO3
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| Molecular Weight |
393.405
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| Canonical SMILES |
CC(C)(C)OC(=O)COC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H22F3NO3/c1-20(2,3)28-19(26)12-27-18-9-8-15-16(10-25-11-17(15)18)13-4-6-14(7-5-13)21(22,23)24/h4-7,10-11,18H,8-9,12H2,1-3H3
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| InChIKey |
JYNZZJQARQMZOU-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