General Information of the Compound
| Compound ID |
CP0432045
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| Compound Name |
N-(5-cyano-2,6-diphenylpyrimidin-4-yl)cyclopentanecarboxamide
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| Structure |
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| Formula |
C23H20N4O
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| Molecular Weight |
368.44
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| Canonical SMILES |
O=C(Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1)C1CCCC1
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| InChI |
InChI=1S/C23H20N4O/c24-15-19-20(16-9-3-1-4-10-16)25-21(17-11-5-2-6-12-17)26-22(19)27-23(28)18-13-7-8-14-18/h1-6,9-12,18H,7-8,13-14H2,(H,25,26,27,28)
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| InChIKey |
LWLBZAAMAPASCS-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