General Information of the Compound
| Compound ID |
CP0924849
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| Compound Name |
sodium 2-(6-chloro-3-isobutyryl-1H-indol-1-yl)thiazole-4-carboxylate
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| Structure |
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| Formula |
C16H12ClN2NaO3S
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| Molecular Weight |
370.793
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| Canonical SMILES |
CC(C)C(=O)c1cn(-c2nc(C(=O)[O-])cs2)c2cc(Cl)ccc12.[Na+]
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| InChI |
InChI=1S/C16H13ClN2O3S.Na/c1-8(2)14(20)11-6-19(13-5-9(17)3-4-10(11)13)16-18-12(7-23-16)15(21)22;/h3-8H,1-2H3,(H,21,22);/q;+1/p-1
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| InChIKey |
XOVHEWAXLDUWPD-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