General Information of the Compound
| Compound ID |
CP0375534
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| Compound Name |
N-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)-4-phenylbutanamide
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| Structure |
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| Formula |
C18H18N2O2S2
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| Molecular Weight |
358.488
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| Canonical SMILES |
Cc1sc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1C
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| InChI |
InChI=1S/C18H18N2O2S2/c1-11-12(2)23-16-15(11)17(22)24-18(20-16)19-14(21)10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,19,20,21)
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| InChIKey |
MTHSIXCBKRNQNR-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