General Information of the Compound
| Compound ID |
CP0573740
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| Compound Name |
sodium;6-[3-(4-cyanonaphthalen-1-yl)oxypyridin-4-yl]sulfanylhexanoate
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| Structure |
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| Formula |
C22H19N2NaO3S
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| Molecular Weight |
414.462
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| Canonical SMILES |
[Na+].[O-]C(=O)CCCCCSc1ccncc1Oc1ccc(C#N)c2ccccc12
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| InChI |
InChI=1S/C22H20N2O3S.Na/c23-14-16-9-10-19(18-7-4-3-6-17(16)18)27-20-15-24-12-11-21(20)28-13-5-1-2-8-22(25)26;/h3-4,6-7,9-12,15H,1-2,5,8,13H2,(H,25,26);/q;+1/p-1
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| InChIKey |
CQESUDQYWVSEJC-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