General Information of the Compound
| Compound ID |
CP0566657
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| Compound Name |
US8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-benzothiazole-7-carboxylic acid methyl ester
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| Structure |
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| Formula |
C13H12N4O2S
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| Molecular Weight |
288.332
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| Canonical SMILES |
COC(=O)c1cccc2nc(sc12)-c1c(C)[nH]nc1N
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| InChI |
InChI=1S/C13H12N4O2S/c1-6-9(11(14)17-16-6)12-15-8-5-3-4-7(10(8)20-12)13(18)19-2/h3-5H,1-2H3,(H3,14,16,17)
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| InChIKey |
IKOJEQSDJHXFQW-UHFFFAOYSA-N
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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