General Information of the Compound
| Compound ID |
CP0420364
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| Compound Name |
1-[5-[5-(1-hydroxyethyl)pyridin-3-yl]-2,3-dihydroindol-1-yl]ethanone
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| Structure |
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| Formula |
C17H18N2O2
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| Molecular Weight |
282.343
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| Canonical SMILES |
CC(O)c1cncc(c1)-c1ccc2N(CCc2c1)C(C)=O
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| InChI |
InChI=1S/C17H18N2O2/c1-11(20)15-8-16(10-18-9-15)13-3-4-17-14(7-13)5-6-19(17)12(2)21/h3-4,7-11,20H,5-6H2,1-2H3
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| InChIKey |
LYJHVNQTZSAXBH-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