General Information of the Compound
| Compound ID |
CP0398883
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| Compound Name |
2-amino-N-[[3-(3,4-dihydro-2H-quinoline-1-carbonyl)quinolin-8-yl]methyl]-8-fluoroquinazoline-4-carboxamide
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| Structure |
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| Formula |
C29H23FN6O2
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| Molecular Weight |
506.541
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| Canonical SMILES |
Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)N2CCCc3ccccc23)c2cccc(F)c2n1
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| InChI |
InChI=1S/C29H23FN6O2/c30-22-11-4-10-21-25(22)34-29(31)35-26(21)27(37)33-15-19-8-3-7-18-14-20(16-32-24(18)19)28(38)36-13-5-9-17-6-1-2-12-23(17)36/h1-4,6-8,10-12,14,16H,5,9,13,15H2,(H,33,37)(H2,31,34,35)
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| InChIKey |
WKZDIXJLBNRISL-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