General Information of the Compound
| Compound ID |
CP0447083
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| Compound Name |
4-[4-(2-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-phenylquinazoline
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| Structure |
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| Formula |
C26H25ClN4O2
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| Molecular Weight |
460.965
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| Canonical SMILES |
COc1cc2nc(nc(N3CCN(CC3)c3ccccc3Cl)c2cc1OC)-c1ccccc1
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| InChI |
InChI=1S/C26H25ClN4O2/c1-32-23-16-19-21(17-24(23)33-2)28-25(18-8-4-3-5-9-18)29-26(19)31-14-12-30(13-15-31)22-11-7-6-10-20(22)27/h3-11,16-17H,12-15H2,1-2H3
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| InChIKey |
UKCACNHYQQFMNR-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