General Information of the Compound
| Compound ID |
CP0876542
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| Compound Name |
1-(4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-ylamino)cyclohexanecarbonitrile
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| Structure |
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| Formula |
C13H21N7
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| Molecular Weight |
275.36
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| Canonical SMILES |
CNc1nc(NC2(C#N)CCCCC2)nc(N(C)C)n1
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| InChI |
InChI=1S/C13H21N7/c1-15-10-16-11(18-12(17-10)20(2)3)19-13(9-14)7-5-4-6-8-13/h4-8H2,1-3H3,(H2,15,16,17,18,19)
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| InChIKey |
CWKWJZRPKWFYEB-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
Protein ID: PT01479, 3',5'-cyclic-AMP phosphodiesterase 4A
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A