General Information of the Compound
| Compound ID |
CP0411321
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| Compound Name |
3-(1-chloro-7-methoxynaphthalen-2-yl)-5-methoxypyridine
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| Structure |
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| Formula |
C17H14ClNO2
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| Molecular Weight |
299.757
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| Canonical SMILES |
COc1ccc2ccc(-c3cncc(OC)c3)c(Cl)c2c1
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| InChI |
InChI=1S/C17H14ClNO2/c1-20-13-5-3-11-4-6-15(17(18)16(11)8-13)12-7-14(21-2)10-19-9-12/h3-10H,1-2H3
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| InChIKey |
VEDXLNFHAQEVMU-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