General Information of the Compound
| Compound ID |
CP0386848
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| Compound Name |
4-O-ethyl 2-O-methyl 5-[[4-(dimethylamino)-2-(4-methoxyanilino)-1,3-thiazole-5-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
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| Structure |
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| Formula |
C23H26N4O6S2
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| Molecular Weight |
518.617
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| Canonical SMILES |
CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(OC)cc2)nc1N(C)C)C(=O)OC
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| InChI |
InChI=1S/C23H26N4O6S2/c1-7-33-21(29)15-12(2)16(22(30)32-6)34-20(15)26-19(28)17-18(27(3)4)25-23(35-17)24-13-8-10-14(31-5)11-9-13/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28)
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| InChIKey |
AOKQKJLVGCXOFA-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: PT01279, Adenosine receptor A3