General Information of the Compound
| Compound ID |
CP0880657
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| Compound Name |
sodium 2-(6-chloro-3-isobutyl-2-methyl-1H-indol-1-yl)thiazole-4-carboxylate
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| Structure |
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| Formula |
C17H16ClN2NaO2S
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| Molecular Weight |
370.837
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| Canonical SMILES |
Cc1c(CC(C)C)c2ccc(Cl)cc2n1-c1nc(C(=O)[O-])cs1.[Na+]
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| InChI |
InChI=1S/C17H17ClN2O2S.Na/c1-9(2)6-13-10(3)20(15-7-11(18)4-5-12(13)15)17-19-14(8-23-17)16(21)22;/h4-5,7-9H,6H2,1-3H3,(H,21,22);/q;+1/p-1
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| InChIKey |
VHFKXSKNIJSFBP-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