General Information of the Compound
| Compound ID |
CP0438989
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| Compound Name |
4-fluoro-N-(7-(N-(3-hydroxypropyl)acetamido)-4-methoxybenzo[d]thiazol-2-yl)benzamide
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| Structure |
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| Formula |
C20H20FN3O4S
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| Molecular Weight |
417.462
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| Canonical SMILES |
COc1ccc(N(CCCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
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| InChI |
InChI=1S/C20H20FN3O4S/c1-12(26)24(10-3-11-25)15-8-9-16(28-2)17-18(15)29-20(22-17)23-19(27)13-4-6-14(21)7-5-13/h4-9,25H,3,10-11H2,1-2H3,(H,22,23,27)
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| InChIKey |
RJTRMSNBKWKEKF-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