General Information of the Compound
| Compound ID |
CP0541912
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| Compound Name |
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpyrrolidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C22H26N6O2
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| Molecular Weight |
406.49
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| Canonical SMILES |
CN1CCC(C1)Oc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
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| InChI |
InChI=1S/C22H26N6O2/c1-14-10-15(2)28(26-14)22-24-20(12-21(25-22)23-16(3)29)17-6-5-7-18(11-17)30-19-8-9-27(4)13-19/h5-7,10-12,19H,8-9,13H2,1-4H3,(H,23,24,25,29)
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| InChIKey |
KWXCLKIPZNZLAX-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: PT01608, Adenosine receptor A2a
Protein ID: PT00862, Adenosine receptor A2a