General Information of the Compound
| Compound ID |
CP0397189
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| Compound Name |
2-ethenyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
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| Structure |
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| Formula |
C23H26N4O3
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| Molecular Weight |
406.486
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| Canonical SMILES |
COc1cc2nc(C=C)nc(N3CCN(CC3)c3ccccc3OC)c2cc1OC
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| InChI |
InChI=1S/C23H26N4O3/c1-5-22-24-17-15-21(30-4)20(29-3)14-16(17)23(25-22)27-12-10-26(11-13-27)18-8-6-7-9-19(18)28-2/h5-9,14-15H,1,10-13H2,2-4H3
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| InChIKey |
UFOKSVRATXOQOA-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