General Information of the Compound
| Compound ID |
CP0420743
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| Compound Name |
N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
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| Structure |
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| Formula |
C19H18N2O2S
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| Molecular Weight |
338.432
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| Canonical SMILES |
Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1
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| InChI |
InChI=1S/C19H18N2O2S/c1-13-10-11-16-15(12-13)18(23)24-19(20-16)21-17(22)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,21,22)
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| InChIKey |
VQQSHXDVKOUEBL-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
Protein ID: PT01279, Adenosine receptor A3