General Information of the Compound
| Compound ID |
CP0386012
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| Compound Name |
N-(2,6-diphenylpyrimidin-4-yl)cyclohexanecarboxamide
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| Structure |
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| Formula |
C23H23N3O
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| Molecular Weight |
357.457
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| Canonical SMILES |
O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCCCC1
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| InChI |
InChI=1S/C23H23N3O/c27-23(19-14-8-3-9-15-19)26-21-16-20(17-10-4-1-5-11-17)24-22(25-21)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,24,25,26,27)
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| InChIKey |
IBKAQSVTVQTIDD-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a