General Information of the Compound
| Compound ID |
CP0437059
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| Compound Name |
1-(cyclopropylmethyl)-5-{[4'-(2-furyl)-4,5'-bipyrimidin-2'-yl]amino}pyridin-2(1H)-one
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| Structure |
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| Formula |
C21H18N6O2
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| Molecular Weight |
386.415
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| Canonical SMILES |
O=c1ccc(Nc2ncc(-c3ccncn3)c(n2)-c2ccco2)cn1CC1CC1
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| InChI |
InChI=1S/C21H18N6O2/c28-19-6-5-15(12-27(19)11-14-3-4-14)25-21-23-10-16(17-7-8-22-13-24-17)20(26-21)18-2-1-9-29-18/h1-2,5-10,12-14H,3-4,11H2,(H,23,25,26)
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| InChIKey |
KFXYTFPWHUKNNC-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3