General Information of the Compound
| Compound ID |
CP0307644
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| Compound Name |
2-(3-chlorophenoxy)-N-(4-oxo-3,1-benzothiazin-2-yl)acetamide
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| Structure |
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| Formula |
C16H11ClN2O3S
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| Molecular Weight |
346.795
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| Canonical SMILES |
Clc1cccc(OCC(=O)Nc2nc3ccccc3c(=O)s2)c1
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| InChI |
InChI=1S/C16H11ClN2O3S/c17-10-4-3-5-11(8-10)22-9-14(20)19-16-18-13-7-2-1-6-12(13)15(21)23-16/h1-8H,9H2,(H,18,19,20)
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| InChIKey |
CIQHHSCFGBYAIB-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3