General Information of the Compound
| Compound ID |
CP0482871
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| Compound Name |
4-[4-(2,6-dimethylphenyl)piperazin-1-yl]-6-ethoxy-7-methoxy-2-phenylquinazoline
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| Structure |
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| Formula |
C29H32N4O2
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| Molecular Weight |
468.601
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| Canonical SMILES |
CCOc1cc2c(nc(nc2cc1OC)-c1ccccc1)N1CCN(CC1)c1c(C)cccc1C
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| InChI |
InChI=1S/C29H32N4O2/c1-5-35-26-18-23-24(19-25(26)34-4)30-28(22-12-7-6-8-13-22)31-29(23)33-16-14-32(15-17-33)27-20(2)10-9-11-21(27)3/h6-13,18-19H,5,14-17H2,1-4H3
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| InChIKey |
LTTBBFCZVUSRDT-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