General Information of the Compound
| Compound ID |
CP0570386
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| Compound Name |
5-bromo-N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H17BrN4OS
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| Molecular Weight |
465.376
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cncc(Br)c2)sc1-c1ccncc1
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| InChI |
InChI=1S/C22H17BrN4OS/c1-13-7-14(2)9-16(8-13)19-20(15-3-5-24-6-4-15)29-22(26-19)27-21(28)17-10-18(23)12-25-11-17/h3-12H,1-2H3,(H,26,27,28)
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| InChIKey |
LDVFCTDWDNBBGA-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3