General Information of the Compound
| Compound ID |
CP0438988
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| Compound Name |
4-fluoro-N-(4-methoxy-7-(N-(2-(methylamino)-2-oxoethyl)acetamido)benzo[d]thiazol-2-yl)benzamide
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| Structure |
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| Formula |
C20H19FN4O4S
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| Molecular Weight |
430.461
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| Canonical SMILES |
CNC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12
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| InChI |
InChI=1S/C20H19FN4O4S/c1-11(26)25(10-16(27)22-2)14-8-9-15(29-3)17-18(14)30-20(23-17)24-19(28)12-4-6-13(21)7-5-12/h4-9H,10H2,1-3H3,(H,22,27)(H,23,24,28)
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| InChIKey |
DAXCTLWNTAQWQH-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