General Information of the Compound
| Compound ID |
CP0460997
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| Compound Name |
ethyl N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate
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| Structure |
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| Formula |
C20H18N2O4S
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| Molecular Weight |
382.441
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| Canonical SMILES |
CCOC(=O)Nc1nc(c(s1)C(=O)c1ccc(OC)cc1)-c1ccccc1
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| InChI |
InChI=1S/C20H18N2O4S/c1-3-26-20(24)22-19-21-16(13-7-5-4-6-8-13)18(27-19)17(23)14-9-11-15(25-2)12-10-14/h4-12H,3H2,1-2H3,(H,21,22,24)
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| InChIKey |
JIYLUSOKVKCFJF-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