General Information of the Compound
| Compound ID |
CP0546614
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| Compound Name |
sodium;2-[3-(4-cyanonaphthalen-1-yl)oxypyridin-4-yl]sulfanylacetate
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| Structure |
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| Formula |
C18H11N2NaO3S
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| Molecular Weight |
358.354
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| Canonical SMILES |
[Na+].[O-]C(=O)CSc1ccncc1Oc1ccc(C#N)c2ccccc12
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| InChI |
InChI=1S/C18H12N2O3S.Na/c19-9-12-5-6-15(14-4-2-1-3-13(12)14)23-16-10-20-8-7-17(16)24-11-18(21)22;/h1-8,10H,11H2,(H,21,22);/q;+1/p-1
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| InChIKey |
VZJIWGNQDYMACZ-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