General Information of the Compound
| Compound ID |
CP0524254
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| Compound Name |
US8754233, 4-(7-Chloro-5-fluoro-6-methoxy-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C12H10ClFN4OS
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| Molecular Weight |
312.757
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| Canonical SMILES |
COc1c(F)cc2nc(sc2c1Cl)-c1c(C)[nH]nc1N
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| InChI |
InChI=1S/C12H10ClFN4OS/c1-4-7(11(15)18-17-4)12-16-6-3-5(14)9(19-2)8(13)10(6)20-12/h3H,1-2H3,(H3,15,17,18)
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| InChIKey |
WCDAXJVVWPUBRH-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