General Information of the Compound
| Compound ID |
CP0397158
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| Compound Name |
N-[5-[4-amino-6-(dimethylamino)-1,3,5-triazine-2-carbonyl]-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide
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| Structure |
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| Formula |
C23H21N7O3S
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| Molecular Weight |
475.534
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1nc(N)nc(n1)N(C)C)-c1ccccc1
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| InChI |
InChI=1S/C23H21N7O3S/c1-30(2)22-27-19(26-21(24)29-22)17(31)18-16(13-7-5-4-6-8-13)25-23(34-18)28-20(32)14-9-11-15(33-3)12-10-14/h4-12H,1-3H3,(H,25,28,32)(H2,24,26,27,29)
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| InChIKey |
PMVWRANITNYUHW-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