General Information of the Compound
| Compound ID |
CP0578907
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| Compound Name |
sodium;4-[3-[(4-cyanonaphthalen-1-yl)amino]pyridin-4-yl]sulfanylbutanoate
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| Structure |
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| Formula |
C20H16N3NaO2S
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| Molecular Weight |
385.424
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| Canonical SMILES |
[Na+].[O-]C(=O)CCCSc1ccncc1Nc1ccc(C#N)c2ccccc12
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| InChI |
InChI=1S/C20H17N3O2S.Na/c21-12-14-7-8-17(16-5-2-1-4-15(14)16)23-18-13-22-10-9-19(18)26-11-3-6-20(24)25;/h1-2,4-5,7-10,13,23H,3,6,11H2,(H,24,25);/q;+1/p-1
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| InChIKey |
JCWCHNXIXUOXCT-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