General Information of the Compound
| Compound ID |
CP0117413
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| Compound Name |
1-(4-methoxyphenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol
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| Structure |
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| Formula |
C22H17NO3S
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| Molecular Weight |
375.449
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| Canonical SMILES |
COc1ccc(cc1)[S+]([O-])c1c(O)c(cc2ccccc12)-c1cccnc1
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| InChI |
InChI=1S/C22H17NO3S/c1-26-17-8-10-18(11-9-17)27(25)22-19-7-3-2-5-15(19)13-20(21(22)24)16-6-4-12-23-14-16/h2-14,24H,1H3
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| InChIKey |
NMOFMDVMKMFXQX-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