General Information of the Compound
| Compound ID |
CP0389972
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| Compound Name |
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylpropyl)quinazoline
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| Structure |
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| Formula |
C25H32N4O3
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| Molecular Weight |
436.556
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)c1nc(CC(C)C)nc2cc(OC)c(OC)cc12
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| InChI |
InChI=1S/C25H32N4O3/c1-17(2)14-24-26-19-16-23(32-5)22(31-4)15-18(19)25(27-24)29-12-10-28(11-13-29)20-8-6-7-9-21(20)30-3/h6-9,15-17H,10-14H2,1-5H3
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| InChIKey |
JMACYYSITUBWPB-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