General Information of the Compound
| Compound ID |
CP0375532
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| Compound Name |
3-(3,4-dichlorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide
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| Structure |
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| Formula |
C17H12Cl2N2O2S
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| Molecular Weight |
379.268
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| Canonical SMILES |
Clc1ccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)cc1Cl
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| InChI |
InChI=1S/C17H12Cl2N2O2S/c18-12-7-5-10(9-13(12)19)6-8-15(22)21-17-20-14-4-2-1-3-11(14)16(23)24-17/h1-5,7,9H,6,8H2,(H,20,21,22)
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| InChIKey |
MCRDXGMMTOOMMQ-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