General Information of the Compound
| Compound ID |
CP0909361
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| Compound Name |
2-(4-chloro-6-(methylamino)-1,3,5-triazin-2-ylamino)-2-ethylbutanenitrile
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| Structure |
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| Formula |
C10H15ClN6
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| Molecular Weight |
254.725
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| Canonical SMILES |
CCC(C#N)(CC)Nc1nc(Cl)nc(NC)n1
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| InChI |
InChI=1S/C10H15ClN6/c1-4-10(5-2,6-12)17-9-15-7(11)14-8(13-3)16-9/h4-5H2,1-3H3,(H2,13,14,15,16,17)
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| InChIKey |
YIFWSJXGRGEIDE-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