General Information of the Compound
| Compound ID |
CP0645981
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| Compound Name |
sodium 2-(5-chloro-2-isobutoxybenzyl)thiazole-4-carboxylate
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| Structure |
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| Formula |
C15H15ClNNaO3S
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| Molecular Weight |
347.799
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| Canonical SMILES |
CC(C)COc1ccc(Cl)cc1Cc1nc(C(=O)[O-])cs1.[Na+]
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| InChI |
InChI=1S/C15H16ClNO3S.Na/c1-9(2)7-20-13-4-3-11(16)5-10(13)6-14-17-12(8-21-14)15(18)19;/h3-5,8-9H,6-7H2,1-2H3,(H,18,19);/q;+1/p-1
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| InChIKey |
PTYOEIGRCCJPGK-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