General Information of the Compound
| Compound ID |
CP0948126
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| Compound Name |
rac-2-methyl-2-(4-(methylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-ylamino)butanenitrile
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| Structure |
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| Formula |
C11H15N9
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| Molecular Weight |
273.304
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| Canonical SMILES |
CCC(C)(C#N)Nc1nc(NC)nc(-n2cncn2)n1
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| InChI |
InChI=1S/C11H15N9/c1-4-11(2,5-12)19-9-16-8(13-3)17-10(18-9)20-7-14-6-15-20/h6-7H,4H2,1-3H3,(H2,13,16,17,18,19)
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| InChIKey |
ZKZBZWBAQLTPAQ-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