General Information of the Compound
| Compound ID |
CP0539005
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| Compound Name |
6-ethoxy-4-[4-(2-fluorophenyl)piperazin-1-yl]-7-methoxy-2-phenylquinazoline
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| Structure |
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| Formula |
C27H27FN4O2
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| Molecular Weight |
458.537
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| Canonical SMILES |
CCOc1cc2c(nc(nc2cc1OC)-c1ccccc1)N1CCN(CC1)c1ccccc1F
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| InChI |
InChI=1S/C27H27FN4O2/c1-3-34-25-17-20-22(18-24(25)33-2)29-26(19-9-5-4-6-10-19)30-27(20)32-15-13-31(14-16-32)23-12-8-7-11-21(23)28/h4-12,17-18H,3,13-16H2,1-2H3
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| InChIKey |
NUEQNASIOICUKI-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: PT03308, G-protein coupled receptor 35
Protein ID: PT02429, Neurotensin receptor type 1
Protein ID: PT02626, Neurotensin receptor type 2