General Information of the Compound
| Compound ID |
CP0543930
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| Compound Name |
N-[4-(3-iodo-5-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C21H15IN4OS
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| Molecular Weight |
498.349
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| Canonical SMILES |
Cc1cc(I)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
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| InChI |
InChI=1S/C21H15IN4OS/c1-13-9-16(11-17(22)10-13)18-19(14-4-7-23-8-5-14)28-21(25-18)26-20(27)15-3-2-6-24-12-15/h2-12H,1H3,(H,25,26,27)
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| InChIKey |
SVLAHMNAIPTSSR-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: PT05020, Adenosine receptor A1
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT01279, Adenosine receptor A3
Protein ID: PT05025, Adenosine receptor A3