General Information of the Compound
| Compound ID |
CP0438977
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| Compound Name |
4-N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-1-N-methylbenzene-1,4-dicarboxamide
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| Structure |
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| Formula |
C21H22N4O4S
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| Molecular Weight |
426.498
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(cc3)C(=O)NC)sc12
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| InChI |
InChI=1S/C21H22N4O4S/c1-5-25(12(2)26)15-10-11-16(29-4)17-18(15)30-21(23-17)24-20(28)14-8-6-13(7-9-14)19(27)22-3/h6-11H,5H2,1-4H3,(H,22,27)(H,23,24,28)
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| InChIKey |
QMZCIVSHZATIOB-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