General Information of the Compound
| Compound ID |
CP0524257
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| Compound Name |
US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl)-5-phenyl-2H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C17H13FN4OS
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| Molecular Weight |
340.383
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| Canonical SMILES |
COc1cc2sc(nc2cc1F)-c1c(N)[nH]nc1-c1ccccc1
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| InChI |
InChI=1S/C17H13FN4OS/c1-23-12-8-13-11(7-10(12)18)20-17(24-13)14-15(21-22-16(14)19)9-5-3-2-4-6-9/h2-8H,1H3,(H3,19,21,22)
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| InChIKey |
SWYXGMQXRBABPD-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