General Information of the Compound
| Compound ID |
CP0884358
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| Compound Name |
rac-2-ethyl-2-(4-(methylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-ylamino)pentanenitrile
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| Structure |
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| Formula |
C13H19N9
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| Molecular Weight |
301.358
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| Canonical SMILES |
CCCC(C#N)(CC)Nc1nc(NC)nc(-n2cncn2)n1
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| InChI |
InChI=1S/C13H19N9/c1-4-6-13(5-2,7-14)21-11-18-10(15-3)19-12(20-11)22-9-16-8-17-22/h8-9H,4-6H2,1-3H3,(H2,15,18,19,20,21)
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| InChIKey |
YGLPVLGJTQBZPJ-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