General Information of the Compound
| Compound ID |
CP0577976
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| Compound Name |
4-[[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]benzenethiol
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| Structure |
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| Formula |
C16H17N5S
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| Molecular Weight |
311.414
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| Canonical SMILES |
Cc1cc(C)n(n1)-c1nc(C)cc(Nc2ccc(S)cc2)n1
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| InChI |
InChI=1S/C16H17N5S/c1-10-9-15(18-13-4-6-14(22)7-5-13)19-16(17-10)21-12(3)8-11(2)20-21/h4-9,22H,1-3H3,(H,17,18,19)
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| InChIKey |
XOIDQLMNLUVGJU-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