General Information of the Compound
| Compound ID |
CP0028661
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| Compound Name |
4-(Benzothiazol-6-ylamino)-6-(benzyl-ethyl-amino)-[1,3,5]triazin-2-ol
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| Structure |
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| Formula |
C19H18N6OS
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| Molecular Weight |
378.461
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| Canonical SMILES |
CCN(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1
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| InChI |
InChI=1S/C19H18N6OS/c1-2-25(11-13-6-4-3-5-7-13)18-22-17(23-19(26)24-18)21-14-8-9-15-16(10-14)27-12-20-15/h3-10,12H,2,11H2,1H3,(H2,21,22,23,24,26)
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| InChIKey |
CUTRRQNUXLUQCJ-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