General Information of the Compound
| Compound ID |
CP0303994
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| Compound Name |
N-(4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide
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| Structure |
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| Formula |
C16H14N2O2S2
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| Molecular Weight |
330.434
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| Canonical SMILES |
O=C(CCCc1ccccc1)Nc1nc2sccc2c(=O)s1
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| InChI |
InChI=1S/C16H14N2O2S2/c19-13(8-4-7-11-5-2-1-3-6-11)17-16-18-14-12(9-10-21-14)15(20)22-16/h1-3,5-6,9-10H,4,7-8H2,(H,17,18,19)
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| InChIKey |
IYRBFSDYGUWBKM-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