General Information of the Compound
| Compound ID |
CP0310683
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| Compound Name |
2-[5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]pyridine-2-carbonyl]benzoic acid
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| Structure |
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| Formula |
C20H19N2O4S+
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| Molecular Weight |
383.449
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| Canonical SMILES |
Cc1c(CCO)sc[n+]1Cc1ccc(nc1)C(=O)c1ccccc1C(O)=O
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| InChI |
InChI=1S/C20H18N2O4S/c1-13-18(8-9-23)27-12-22(13)11-14-6-7-17(21-10-14)19(24)15-4-2-3-5-16(15)20(25)26/h2-7,10,12,23H,8-9,11H2,1H3/p+1
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| InChIKey |
YCAKNQVIQPUHBT-UHFFFAOYSA-O
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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