General Information of the Compound
| Compound ID |
CP0394262
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| Compound Name |
N-[4-(1,3-benzodioxol-5-yl)-5-cyano-6-phenylpyrimidin-2-yl]cyclopentanecarboxamide
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| Structure |
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| Formula |
C24H20N4O3
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| Molecular Weight |
412.449
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| Canonical SMILES |
O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1)C1CCCC1
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| InChI |
InChI=1S/C24H20N4O3/c25-13-18-21(15-6-2-1-3-7-15)26-24(28-23(29)16-8-4-5-9-16)27-22(18)17-10-11-19-20(12-17)31-14-30-19/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29)
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| InChIKey |
SYSUVQKHSMDCHY-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