General Information of the Compound
| Compound ID |
CP0487741
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| Compound Name |
4-O-ethyl 2-O-methyl 3-methyl-5-[[4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carbonyl]amino]thiophene-2,4-dicarboxylate
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| Structure |
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| Formula |
C22H23N3O5S2
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| Molecular Weight |
473.576
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| Canonical SMILES |
CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(C)cc2)nc1C)C(=O)OC
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| InChI |
InChI=1S/C22H23N3O5S2/c1-6-30-20(27)15-12(3)16(21(28)29-5)31-19(15)25-18(26)17-13(4)23-22(32-17)24-14-9-7-11(2)8-10-14/h7-10H,6H2,1-5H3,(H,23,24)(H,25,26)
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| InChIKey |
ZBWOLBZUALFVNT-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