General Information of the Compound
| Compound ID |
CP0546617
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| Compound Name |
sodium;2-[3-(4-cyanonaphthalen-1-yl)pyridin-4-yl]sulfanyl-2-methylpropanoate
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| Structure |
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| Formula |
C20H15N2NaO2S
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| Molecular Weight |
370.409
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| Canonical SMILES |
[Na+].CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C([O-])=O
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| InChI |
InChI=1S/C20H16N2O2S.Na/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16;/h3-10,12H,1-2H3,(H,23,24);/q;+1/p-1
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| InChIKey |
SDJHWWWQAIRKKV-UHFFFAOYSA-M
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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: PT03073, Solute carrier family 22 member 12
Protein ID: PT04064, Solute carrier family 22 member 6