General Information of the Compound
| Compound ID |
CP0404493
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| Compound Name |
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline
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| Structure |
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| Formula |
C34H42N6O4
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| Molecular Weight |
598.748
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| Canonical SMILES |
COc1ccccc1N1CCN(CCc2nc(N3CCN(CC3)c3ccccc3OC)c3cc(OC)c(OC)cc3n2)CC1
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| InChI |
InChI=1S/C34H42N6O4/c1-41-29-11-7-5-9-27(29)38-17-15-37(16-18-38)14-13-33-35-26-24-32(44-4)31(43-3)23-25(26)34(36-33)40-21-19-39(20-22-40)28-10-6-8-12-30(28)42-2/h5-12,23-24H,13-22H2,1-4H3
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| InChIKey |
YVDRBUFQCDWPFH-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