General Information of the Compound
| Compound ID |
CP0414078
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| Compound Name |
US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl)-5-isoxazol-5-yl-2H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C14H10FN5O2S
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| Molecular Weight |
331.332
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| Canonical SMILES |
COc1cc2sc(nc2cc1F)-c1c(N)[nH]nc1-c1ccno1
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| InChI |
InChI=1S/C14H10FN5O2S/c1-21-9-5-10-7(4-6(9)15)18-14(23-10)11-12(19-20-13(11)16)8-2-3-17-22-8/h2-5H,1H3,(H3,16,19,20)
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| InChIKey |
YKXDFTUXTJQUSR-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