General Information of the Compound
| Compound ID |
CP0414299
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| Compound Name |
1-[5-(5-methoxypyridin-3-yl)-2,3-dihydroindol-1-yl]ethanone
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| Structure |
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| Formula |
C16H16N2O2
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| Molecular Weight |
268.316
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| Canonical SMILES |
COc1cncc(c1)-c1ccc2N(CCc2c1)C(C)=O
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| InChI |
InChI=1S/C16H16N2O2/c1-11(19)18-6-5-13-7-12(3-4-16(13)18)14-8-15(20-2)10-17-9-14/h3-4,7-10H,5-6H2,1-2H3
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| InChIKey |
HLBUWSIUHJUWML-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