General Information of the Compound
| Compound ID |
CP0213333
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| Compound Name |
2-(4-Amino-phenyl)-N-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-acetamide
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| Structure |
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| Formula |
C21H15ClN6O2
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| Molecular Weight |
418.844
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| Canonical SMILES |
Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1
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| InChI |
InChI=1S/C21H15ClN6O2/c22-13-5-8-16-15(11-13)20-26-19(17-2-1-9-30-17)27-28(20)21(24-16)25-18(29)10-12-3-6-14(23)7-4-12/h1-9,11H,10,23H2,(H,24,25,29)
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| InChIKey |
QQZIXJZPJJNMPH-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3