General Information of the Compound
| Compound ID |
CP0420748
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| Compound Name |
N-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
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| Structure |
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| Formula |
C18H15ClN2O2S
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| Molecular Weight |
358.85
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| Canonical SMILES |
Clc1ccc2c(c1)nc(NC(=O)CCCc1ccccc1)sc2=O
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| InChI |
InChI=1S/C18H15ClN2O2S/c19-13-9-10-14-15(11-13)20-18(24-17(14)23)21-16(22)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,20,21,22)
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| InChIKey |
FWNYCNZFSIUYOA-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: PT00840, Adenosine receptor A1
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3