General Information of the Compound
| Compound ID |
CP0398768
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| Compound Name |
3-(2-hydroxy-3-pyridin-3-ylnaphthalen-1-yl)sulfinylbenzonitrile
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| Structure |
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| Formula |
C22H14N2O2S
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| Molecular Weight |
370.433
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| Canonical SMILES |
Oc1c(cc2ccccc2c1[S+]([O-])c1cccc(c1)C#N)-c1cccnc1
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| InChI |
InChI=1S/C22H14N2O2S/c23-13-15-5-3-8-18(11-15)27(26)22-19-9-2-1-6-16(19)12-20(21(22)25)17-7-4-10-24-14-17/h1-12,14,25H
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| InChIKey |
BGDFOIZIRAANPW-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