General Information of the Compound
| Compound ID |
CP0375540
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| Compound Name |
(E)-4-(3-chlorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)but-3-enamide
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| Structure |
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| Formula |
C18H13ClN2O2S
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| Molecular Weight |
356.834
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| Canonical SMILES |
Clc1cccc(\C=C\CC(=O)Nc2nc3ccccc3c(=O)s2)c1
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| InChI |
InChI=1S/C18H13ClN2O2S/c19-13-7-3-5-12(11-13)6-4-10-16(22)21-18-20-15-9-2-1-8-14(15)17(23)24-18/h1-9,11H,10H2,(H,20,21,22)/b6-4+
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| InChIKey |
VFVRYMSPQLJZMY-GQCTYLIASA-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