General Information of the Compound
| Compound ID |
CP0521576
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| Compound Name |
US9187429, 101
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| Structure |
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| Formula |
C19H19F3N2O2
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| Molecular Weight |
364.367
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| Canonical SMILES |
CN(C)C(=O)COC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C19H19F3N2O2/c1-24(2)18(25)11-26-17-8-7-14-15(9-23-10-16(14)17)12-3-5-13(6-4-12)19(20,21)22/h3-6,9-10,17H,7-8,11H2,1-2H3
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| InChIKey |
YRHQDZGOAOBKTR-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