General Information of the Compound
| Compound ID |
CP0386033
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| Compound Name |
1-benzyl-3-((2-oxo-4-phenethyl-3-(thiazol-2-yl)-1,2-dihydroquinolin-6-yl)methyl)urea
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| Structure |
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| Formula |
C29H26N4O2S
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| Molecular Weight |
494.62
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| Canonical SMILES |
O=C(NCc1ccccc1)NCc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1
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| InChI |
InChI=1S/C29H26N4O2S/c34-27-26(28-30-15-16-36-28)23(13-11-20-7-3-1-4-8-20)24-17-22(12-14-25(24)33-27)19-32-29(35)31-18-21-9-5-2-6-10-21/h1-10,12,14-17H,11,13,18-19H2,(H,33,34)(H2,31,32,35)
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| InChIKey |
BEJQAFOYYGPYJA-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