General Information of the Compound
| Compound ID |
CP0380531
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| Compound Name |
N-[[2-oxo-4-(2-phenylethyl)-3-(1,3-thiazol-2-yl)-1H-quinolin-6-yl]methyl]-3-phenylpropanamide
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| Structure |
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| Formula |
C30H27N3O2S
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| Molecular Weight |
493.632
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| Canonical SMILES |
O=C(CCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1
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| InChI |
InChI=1S/C30H27N3O2S/c34-27(16-13-22-9-5-2-6-10-22)32-20-23-12-15-26-25(19-23)24(14-11-21-7-3-1-4-8-21)28(29(35)33-26)30-31-17-18-36-30/h1-10,12,15,17-19H,11,13-14,16,20H2,(H,32,34)(H,33,35)
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| InChIKey |
PFISNTYZWRKRES-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