General Information of the Compound
| Compound ID |
CP0445509
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| Compound Name |
propan-2-yl 4-(furan-2-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
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| Structure |
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| Formula |
C13H16N2O3S
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| Molecular Weight |
280.349
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| Canonical SMILES |
CC(C)OC(=O)C1=C(C)NC(=S)NC1c1ccco1
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| InChI |
InChI=1S/C13H16N2O3S/c1-7(2)18-12(16)10-8(3)14-13(19)15-11(10)9-5-4-6-17-9/h4-7,11H,1-3H3,(H2,14,15,19)
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| InChIKey |
HZXJNCWJQXMVSB-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