General Information of the Compound
| Compound ID |
CP0952824
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| Compound Name |
N2-(3-ethylpent-1-yn-3-yl)-N4-methyl-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C13H18N8
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| Molecular Weight |
286.343
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| Canonical SMILES |
C#CC(CC)(CC)Nc1nc(NC)nc(-n2cncn2)n1
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| InChI |
InChI=1S/C13H18N8/c1-5-13(6-2,7-3)20-11-17-10(14-4)18-12(19-11)21-9-15-8-16-21/h1,8-9H,6-7H2,2-4H3,(H2,14,17,18,19,20)
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| InChIKey |
YHYGQUYCAYBNIH-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