General Information of the Compound
| Compound ID |
CP0375536
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| Compound Name |
3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)prop-2-ynamide
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| Structure |
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| Formula |
C18H12N2O3S
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| Molecular Weight |
336.372
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| Canonical SMILES |
COc1cccc(c1)C#CC(=O)Nc1nc2ccccc2c(=O)s1
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| InChI |
InChI=1S/C18H12N2O3S/c1-23-13-6-4-5-12(11-13)9-10-16(21)20-18-19-15-8-3-2-7-14(15)17(22)24-18/h2-8,11H,1H3,(H,19,20,21)
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| InChIKey |
LPEUVWWGKXQKNC-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3