General Information of the Compound
| Compound ID |
CP0893601
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| Compound Name |
1-(4-chloro-6-(methylamino)-1,3,5-triazin-2-ylamino)cycloheptanecarbonitrile
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| Structure |
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| Formula |
C12H17ClN6
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| Molecular Weight |
280.763
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| Canonical SMILES |
CNc1nc(Cl)nc(NC2(C#N)CCCCCC2)n1
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| InChI |
InChI=1S/C12H17ClN6/c1-15-10-16-9(13)17-11(18-10)19-12(8-14)6-4-2-3-5-7-12/h2-7H2,1H3,(H2,15,16,17,18,19)
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| InChIKey |
ARPKBROSLCOBKL-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