General Information of the Compound
| Compound ID |
CP0429152
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| Compound Name |
ethyl 2-[[2-(acetyloxyamino)-4-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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| Structure |
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| Formula |
C19H24N4O5S2
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| Molecular Weight |
452.558
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| Canonical SMILES |
CCOC(=O)c1c(NC(=O)c2sc(NOC(C)=O)nc2N(C)C)sc2CCCCc12
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| InChI |
InChI=1S/C19H24N4O5S2/c1-5-27-18(26)13-11-8-6-7-9-12(11)29-17(13)21-16(25)14-15(23(3)4)20-19(30-14)22-28-10(2)24/h5-9H2,1-4H3,(H,20,22)(H,21,25)
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| InChIKey |
KTCOEYUYZKSGIQ-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