General Information of the Compound
| Compound ID |
CP0509996
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| Compound Name |
4-(3,4-dichlorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)butanamide
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| Structure |
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| Formula |
C18H14Cl2N2O2S
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| Molecular Weight |
393.295
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| Canonical SMILES |
Clc1ccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)cc1Cl
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| InChI |
InChI=1S/C18H14Cl2N2O2S/c19-13-9-8-11(10-14(13)20)4-3-7-16(23)22-18-21-15-6-2-1-5-12(15)17(24)25-18/h1-2,5-6,8-10H,3-4,7H2,(H,21,22,23)
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| InChIKey |
PASYOYBOSIYDEU-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