General Information of the Compound
| Compound ID |
CP0090223
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| Compound Name |
2-amino-8-fluoro-N-[[3-[4-[4-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]quinolin-8-yl]methyl]quinazoline-4-carboxamide
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| Structure |
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| Formula |
C33H32FN7O4
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| Molecular Weight |
609.662
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| Canonical SMILES |
COCCOc1ccc(cc1)N1CCN(CC1)C(=O)c1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc2c1
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| InChI |
InChI=1S/C33H32FN7O4/c1-44-16-17-45-25-10-8-24(9-11-25)40-12-14-41(15-13-40)32(43)23-18-21-4-2-5-22(28(21)36-20-23)19-37-31(42)30-26-6-3-7-27(34)29(26)38-33(35)39-30/h2-11,18,20H,12-17,19H2,1H3,(H,37,42)(H2,35,38,39)
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| InChIKey |
XPGISRLOZOMIJJ-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