General Information of the Compound
| Compound ID |
CP0540593
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| Compound Name |
US8754233, 4-(6-Dimethylaminomethyl-5-fluoro-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C14H16FN5S
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| Molecular Weight |
305.382
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| Canonical SMILES |
CN(C)Cc1cc2sc(nc2cc1F)-c1c(C)[nH]nc1N
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| InChI |
InChI=1S/C14H16FN5S/c1-7-12(13(16)19-18-7)14-17-10-5-9(15)8(6-20(2)3)4-11(10)21-14/h4-5H,6H2,1-3H3,(H3,16,18,19)
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| InChIKey |
SEUQVSLHPQREFI-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