General Information of the Compound
| Compound ID |
CP0386041
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| Compound Name |
2-(3-(3-methylisoxazol-5-yl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)-N-(2-phenylpropan-2-yl)acetamide
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| Structure |
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| Formula |
C32H31N3O4
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| Molecular Weight |
521.617
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| Canonical SMILES |
Cc1cc(on1)-c1c(CCc2ccccc2)c2cc(OCC(=O)NC(C)(C)c3ccccc3)ccc2[nH]c1=O
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| InChI |
InChI=1S/C32H31N3O4/c1-21-18-28(39-35-21)30-25(16-14-22-10-6-4-7-11-22)26-19-24(15-17-27(26)33-31(30)37)38-20-29(36)34-32(2,3)23-12-8-5-9-13-23/h4-13,15,17-19H,14,16,20H2,1-3H3,(H,33,37)(H,34,36)
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| InChIKey |
BOFQEGROHMEPMB-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