General Information of the Compound
| Compound ID |
CP0404474
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| Compound Name |
2-benzyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
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| Structure |
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| Formula |
C28H30N4O3
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| Molecular Weight |
470.573
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)c1nc(Cc2ccccc2)nc2cc(OC)c(OC)cc12
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| InChI |
InChI=1S/C28H30N4O3/c1-33-24-12-8-7-11-23(24)31-13-15-32(16-14-31)28-21-18-25(34-2)26(35-3)19-22(21)29-27(30-28)17-20-9-5-4-6-10-20/h4-12,18-19H,13-17H2,1-3H3
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| InChIKey |
TWKQXPMKDQQWCX-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