General Information of the Compound
| Compound ID |
CP0279078
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| Compound Name |
2-amino-8-fluoro-N-[[3-[methyl(3-pyridin-2-ylpropyl)carbamoyl]quinolin-8-yl]methyl]quinazoline-4-carboxamide
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| Structure |
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| Formula |
C29H26FN7O2
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| Molecular Weight |
523.572
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| Canonical SMILES |
CN(CCCc1ccccn1)C(=O)c1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc2c1
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| InChI |
InChI=1S/C29H26FN7O2/c1-37(14-6-10-21-9-2-3-13-32-21)28(39)20-15-18-7-4-8-19(24(18)33-17-20)16-34-27(38)26-22-11-5-12-23(30)25(22)35-29(31)36-26/h2-5,7-9,11-13,15,17H,6,10,14,16H2,1H3,(H,34,38)(H2,31,35,36)
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| InChIKey |
XFDPYXCMDIVHGP-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