General Information of the Compound
| Compound ID |
CP0501668
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| Compound Name |
N-(cyclopropylmethyl)-2-[[3-methylsulfonyl-2-oxo-4-(2-phenylethyl)-1H-quinolin-6-yl]oxy]acetamide
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| Structure |
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| Formula |
C24H26N2O5S
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| Molecular Weight |
454.548
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| Canonical SMILES |
CS(=O)(=O)c1c(CCc2ccccc2)c2cc(OCC(=O)NCC3CC3)ccc2[nH]c1=O
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| InChI |
InChI=1S/C24H26N2O5S/c1-32(29,30)23-19(11-9-16-5-3-2-4-6-16)20-13-18(10-12-21(20)26-24(23)28)31-15-22(27)25-14-17-7-8-17/h2-6,10,12-13,17H,7-9,11,14-15H2,1H3,(H,25,27)(H,26,28)
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| InChIKey |
KTHZNTXIIWQWBY-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: PT01278, Adenosine receptor A2b