General Information of the Compound
| Compound ID |
CP0397160
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| Compound Name |
N-[5-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
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| Structure |
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| Formula |
C21H19N7OS
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| Molecular Weight |
417.498
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| Canonical SMILES |
CN(C)c1nc(N)nc(n1)-c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
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| InChI |
InChI=1S/C21H19N7OS/c1-28(2)20-25-17(24-19(22)27-20)16-15(13-9-5-3-6-10-13)23-21(30-16)26-18(29)14-11-7-4-8-12-14/h3-12H,1-2H3,(H,23,26,29)(H2,22,24,25,27)
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| InChIKey |
NMBGIAJFOLFEJN-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
Protein ID: PT01279, Adenosine receptor A3