General Information of the Compound
| Compound ID |
CP0366079
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| Compound Name |
N-(4-oxo-3,1-benzothiazin-2-yl)-3-phenylpropanamide
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| Structure |
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| Formula |
C17H14N2O2S
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| Molecular Weight |
310.378
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| Canonical SMILES |
O=C(CCc1ccccc1)Nc1nc2ccccc2c(=O)s1
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| InChI |
InChI=1S/C17H14N2O2S/c20-15(11-10-12-6-2-1-3-7-12)19-17-18-14-9-5-4-8-13(14)16(21)22-17/h1-9H,10-11H2,(H,18,19,20)
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| InChIKey |
KLNYLDYPZCWDDA-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3