General Information of the Compound
| Compound ID |
CP0472416
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| Compound Name |
N-[4,6-bis(4-methylsulfanylphenyl)pyrimidin-2-yl]propanamide
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| Structure |
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| Formula |
C21H21N3OS2
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| Molecular Weight |
395.553
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| Canonical SMILES |
CCC(=O)Nc1nc(cc(n1)-c1ccc(SC)cc1)-c1ccc(SC)cc1
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| InChI |
InChI=1S/C21H21N3OS2/c1-4-20(25)24-21-22-18(14-5-9-16(26-2)10-6-14)13-19(23-21)15-7-11-17(27-3)12-8-15/h5-13H,4H2,1-3H3,(H,22,23,24,25)
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| InChIKey |
KKQVPFPECHQEJX-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