General Information of the Compound
| Compound ID |
CP0846682
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| Compound Name |
1-(4-(1H-benzo[d]imidazol-1-yl)-6-(methylamino)-1,3,5-triazin-2-ylamino)cyclohexanecarbonitrile
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| Structure |
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| Formula |
C18H20N8
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| Molecular Weight |
348.414
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| Canonical SMILES |
CNc1nc(NC2(C#N)CCCCC2)nc(-n2cnc3ccccc32)n1
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| InChI |
InChI=1S/C18H20N8/c1-20-15-22-16(25-18(11-19)9-5-2-6-10-18)24-17(23-15)26-12-21-13-7-3-4-8-14(13)26/h3-4,7-8,12H,2,5-6,9-10H2,1H3,(H2,20,22,23,24,25)
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| InChIKey |
ULWHJKDQAKFVRB-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