General Information of the Compound
| Compound ID |
CP0419802
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| Compound Name |
US8754233, [2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-benzothiazol-6-yl]-methanol
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| Structure |
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| Formula |
C12H11FN4OS
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| Molecular Weight |
278.312
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1nc2cc(F)c(CO)cc2s1
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| InChI |
InChI=1S/C12H11FN4OS/c1-5-10(11(14)17-16-5)12-15-8-3-7(13)6(4-18)2-9(8)19-12/h2-3,18H,4H2,1H3,(H3,14,16,17)
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| InChIKey |
IIKBSVJXNRIRLB-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