General Information of the Compound
| Compound ID |
CP0513988
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| Compound Name |
7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C21H18N2O2
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| Molecular Weight |
330.387
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| Canonical SMILES |
O=C1CCc2cc(c(OCc3ccccc3)cc2N1)-c1cccnc1
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| InChI |
InChI=1S/C21H18N2O2/c24-21-9-8-16-11-18(17-7-4-10-22-13-17)20(12-19(16)23-21)25-14-15-5-2-1-3-6-15/h1-7,10-13H,8-9,14H2,(H,23,24)
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| InChIKey |
VGFAZLJERHRJJT-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