General Information of the Compound
| Compound ID |
CP0446958
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| Compound Name |
2-cyclobutyl-6,7-dimethoxy-4-[4-(2-methylphenyl)piperazin-1-yl]quinazoline
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| Structure |
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| Formula |
C25H30N4O2
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| Molecular Weight |
418.541
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| Canonical SMILES |
COc1cc2nc(nc(N3CCN(CC3)c3ccccc3C)c2cc1OC)C1CCC1
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| InChI |
InChI=1S/C25H30N4O2/c1-17-7-4-5-10-21(17)28-11-13-29(14-12-28)25-19-15-22(30-2)23(31-3)16-20(19)26-24(27-25)18-8-6-9-18/h4-5,7,10,15-16,18H,6,8-9,11-14H2,1-3H3
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| InChIKey |
QAHFFKCDOYHKTJ-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