General Information of the Compound
| Compound ID |
CP0506091
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| Compound Name |
N-benzyl-2-[1-methyl-3-methylsulfonyl-2-oxo-4-(2-phenylethyl)quinolin-6-yl]oxyacetamide
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| Structure |
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| Formula |
C28H28N2O5S
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| Molecular Weight |
504.608
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| Canonical SMILES |
Cn1c2ccc(OCC(=O)NCc3ccccc3)cc2c(CCc2ccccc2)c(c1=O)S(C)(=O)=O
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| InChI |
InChI=1S/C28H28N2O5S/c1-30-25-16-14-22(35-19-26(31)29-18-21-11-7-4-8-12-21)17-24(25)23(27(28(30)32)36(2,33)34)15-13-20-9-5-3-6-10-20/h3-12,14,16-17H,13,15,18-19H2,1-2H3,(H,29,31)
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| InChIKey |
QEOBHVHLWKBNJY-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