General Information of the Compound
| Compound ID |
CP0389337
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| Compound Name |
US8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-benzothiazole-6-carboxylic acid methyl ester
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| Structure |
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| Formula |
C13H11FN4O2S
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| Molecular Weight |
306.322
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| Canonical SMILES |
COC(=O)c1cc2sc(nc2cc1F)-c1c(C)[nH]nc1N
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| InChI |
InChI=1S/C13H11FN4O2S/c1-5-10(11(15)18-17-5)12-16-8-4-7(14)6(13(19)20-2)3-9(8)21-12/h3-4H,1-2H3,(H3,15,17,18)
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| InChIKey |
UKMWNGBPFOCSTQ-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