General Information of the Compound
| Compound ID |
CP0471160
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| Compound Name |
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(propan-2-yloxy)pyrrolidin-1-yl]acetamide
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| Structure |
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| Formula |
C23H30N6O3
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| Molecular Weight |
438.532
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| Canonical SMILES |
CC(C)O[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
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| InChI |
InChI=1S/C23H30N6O3/c1-14(2)31-18-8-9-28(12-18)13-22(30)24-20-11-21(29-16(4)10-15(3)27-29)26-23(25-20)19-7-6-17(5)32-19/h6-7,10-11,14,18H,8-9,12-13H2,1-5H3,(H,24,25,26,30)/t18-/m0/s1
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| InChIKey |
KGHBKXALSJLZKK-SFHVURJKSA-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