General Information of the Compound
| Compound ID |
CP0574280
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| Compound Name |
sodium;7-[3-(4-cyanonaphthalen-1-yl)oxypyridin-4-yl]sulfanylheptanoate
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| Structure |
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| Formula |
C23H21N2NaO3S
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| Molecular Weight |
428.489
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| Canonical SMILES |
[Na+].[O-]C(=O)CCCCCCSc1ccncc1Oc1ccc(C#N)c2ccccc12
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| InChI |
InChI=1S/C23H22N2O3S.Na/c24-15-17-10-11-20(19-8-5-4-7-18(17)19)28-21-16-25-13-12-22(21)29-14-6-2-1-3-9-23(26)27;/h4-5,7-8,10-13,16H,1-3,6,9,14H2,(H,26,27);/q;+1/p-1
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| InChIKey |
WELOYNXMAZERAA-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