General Information of the Compound
| Compound ID |
CP0527330
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| Compound Name |
US9187429, 98
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| Structure |
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| Formula |
C18H16F3NO3
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| Molecular Weight |
351.324
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| Canonical SMILES |
COC(=O)COC1CCc2c1cncc2-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H16F3NO3/c1-24-17(23)10-25-16-7-6-13-14(8-22-9-15(13)16)11-2-4-12(5-3-11)18(19,20)21/h2-5,8-9,16H,6-7,10H2,1H3
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| InChIKey |
BRVLYAYHWQNFKL-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