General Information of the Compound
| Compound ID |
CP0432044
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| Compound Name |
N-[6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-yl]cyclopentanecarboxamide
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| Structure |
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| Formula |
C23H21N3O3
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| Molecular Weight |
387.439
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| Canonical SMILES |
O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C1CCCC1
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| InChI |
InChI=1S/C23H21N3O3/c27-23(16-8-4-5-9-16)26-21-13-18(17-10-11-19-20(12-17)29-14-28-19)24-22(25-21)15-6-2-1-3-7-15/h1-3,6-7,10-13,16H,4-5,8-9,14H2,(H,24,25,26,27)
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| InChIKey |
HAYHNFCAHWXBMY-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
Protein ID: PT01279, Adenosine receptor A3