General Information of the Compound
| Compound ID |
CP0066681
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| Compound Name |
6-[phenyl(pyridin-3-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
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| Structure |
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| Formula |
C23H20N2O
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| Molecular Weight |
340.426
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| Canonical SMILES |
O=C1CCc2cc(cc3CCN1c23)C(c1ccccc1)c1cccnc1
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| InChI |
InChI=1S/C23H20N2O/c26-21-9-8-17-13-20(14-18-10-12-25(21)23(17)18)22(16-5-2-1-3-6-16)19-7-4-11-24-15-19/h1-7,11,13-15,22H,8-10,12H2
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| InChIKey |
HIKPYRJBXFYBLG-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