General Information of the Compound
| Compound ID |
CP0415261
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| Compound Name |
2-amino-N-[(4-butoxyquinolin-8-yl)methyl]-8-fluoroquinazoline-4-carboxamide
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| Structure |
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| Formula |
C23H22FN5O2
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| Molecular Weight |
419.46
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| Canonical SMILES |
CCCCOc1ccnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc12
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| InChI |
InChI=1S/C23H22FN5O2/c1-2-3-12-31-18-10-11-26-19-14(6-4-7-15(18)19)13-27-22(30)21-16-8-5-9-17(24)20(16)28-23(25)29-21/h4-11H,2-3,12-13H2,1H3,(H,27,30)(H2,25,28,29)
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| InChIKey |
MLMXORBEZPDELJ-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