General Information of the Compound
| Compound ID |
CP0113141
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| Compound Name |
4-(Benzothiazol-6-yl-methyl-amino)-6-(1-methyl-1-phenyl-ethylamino)-[1,3,5]triazin-2-ol
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| Structure |
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| Formula |
C20H20N6OS
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| Molecular Weight |
392.488
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| Canonical SMILES |
CN(c1ccc2ncsc2c1)c1nc(NC(C)(C)c2ccccc2)nc(=O)[nH]1
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| InChI |
InChI=1S/C20H20N6OS/c1-20(2,13-7-5-4-6-8-13)25-17-22-18(24-19(27)23-17)26(3)14-9-10-15-16(11-14)28-12-21-15/h4-12H,1-3H3,(H2,22,23,24,25,27)
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| InChIKey |
XYPPNIGENTYIOF-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