General Information of the Compound
| Compound ID |
CP0540607
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| Compound Name |
US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl)-5-(5-nitro-furan-2-yl)-2H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C15H10FN5O4S
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| Molecular Weight |
375.341
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| Canonical SMILES |
COc1cc2sc(nc2cc1F)-c1c(N)[nH]nc1-c1ccc(o1)[N+]([O-])=O
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| InChI |
InChI=1S/C15H10FN5O4S/c1-24-9-5-10-7(4-6(9)16)18-15(26-10)12-13(19-20-14(12)17)8-2-3-11(25-8)21(22)23/h2-5H,1H3,(H3,17,19,20)
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| InChIKey |
CLCLSYVWFTZWMB-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