General Information of the Compound
| Compound ID |
CP0894514
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| Compound Name |
sodium 2-(6-chloro-3-(3,3-dimethylbutyl)-1H-indol-1-yl)thiazole-4-carboxylate
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| Structure |
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| Formula |
C18H18ClN2NaO2S
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| Molecular Weight |
384.864
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| Canonical SMILES |
CC(C)(C)CCc1cn(-c2nc(C(=O)[O-])cs2)c2cc(Cl)ccc12.[Na+]
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| InChI |
InChI=1S/C18H19ClN2O2S.Na/c1-18(2,3)7-6-11-9-21(15-8-12(19)4-5-13(11)15)17-20-14(10-24-17)16(22)23;/h4-5,8-10H,6-7H2,1-3H3,(H,22,23);/q;+1/p-1
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| InChIKey |
YEVHYDRNFKHDSY-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