General Information of the Compound
| Compound ID |
CP0572565
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| Compound Name |
US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl)-5-(4-fluoro-phenyl)-2H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C17H12F2N4OS
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| Molecular Weight |
358.373
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| Canonical SMILES |
COc1cc2sc(nc2cc1F)-c1c(N)[nH]nc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C17H12F2N4OS/c1-24-12-7-13-11(6-10(12)19)21-17(25-13)14-15(22-23-16(14)20)8-2-4-9(18)5-3-8/h2-7H,1H3,(H3,20,22,23)
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| InChIKey |
JDRWZPMNLJGQAX-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