General Information of the Compound
| Compound ID |
CP0472456
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| Compound Name |
1-N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-N-(2-methoxyethyl)-4-N-methylbenzene-1,4-dicarboxamide
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| Structure |
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| Formula |
C24H28N4O5S
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| Molecular Weight |
484.578
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)N(C)CCOC)sc12
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| InChI |
InChI=1S/C24H28N4O5S/c1-6-28(15(2)29)18-11-12-19(33-5)20-21(18)34-24(25-20)26-22(30)16-7-9-17(10-8-16)23(31)27(3)13-14-32-4/h7-12H,6,13-14H2,1-5H3,(H,25,26,30)
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| InChIKey |
UCBVQPRPUKKIOI-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: PT01278, Adenosine receptor A2b