General Information of the Compound
| Compound ID |
CP0457633
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| Compound Name |
methyl 2-[5-(6-methoxynaphthalen-2-yl)pyridin-3-yl]acetate
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| Structure |
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| Formula |
C19H17NO3
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| Molecular Weight |
307.349
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| Canonical SMILES |
COC(=O)Cc1cncc(c1)-c1ccc2cc(OC)ccc2c1
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| InChI |
InChI=1S/C19H17NO3/c1-22-18-6-5-14-9-15(3-4-16(14)10-18)17-7-13(11-20-12-17)8-19(21)23-2/h3-7,9-12H,8H2,1-2H3
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| InChIKey |
NJYSPTKLOLAHQY-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