General Information of the Compound
| Compound ID |
CP0580203
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| Compound Name |
sodium;4-[[3-[(4-cyanonaphthalen-1-yl)amino]pyridin-4-yl]sulfanylmethyl]benzoate
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| Structure |
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| Formula |
C24H16N3NaO2S
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| Molecular Weight |
433.468
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| Canonical SMILES |
[Na+].[O-]C(=O)c1ccc(CSc2ccncc2Nc2ccc(C#N)c3ccccc23)cc1
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| InChI |
InChI=1S/C24H17N3O2S.Na/c25-13-18-9-10-21(20-4-2-1-3-19(18)20)27-22-14-26-12-11-23(22)30-15-16-5-7-17(8-6-16)24(28)29;/h1-12,14,27H,15H2,(H,28,29);/q;+1/p-1
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| InChIKey |
CUQSXVQEHKRJEC-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