General Information of the Compound
| Compound ID |
CP0397442
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| Compound Name |
6-ethoxy-7-methoxy-4-[4-(2-nitrophenyl)piperazin-1-yl]-2-phenylquinazoline
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| Structure |
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| Formula |
C27H27N5O4
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| Molecular Weight |
485.544
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| Canonical SMILES |
CCOc1cc2c(nc(nc2cc1OC)-c1ccccc1)N1CCN(CC1)c1ccccc1[N+]([O-])=O
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| InChI |
InChI=1S/C27H27N5O4/c1-3-36-25-17-20-21(18-24(25)35-2)28-26(19-9-5-4-6-10-19)29-27(20)31-15-13-30(14-16-31)22-11-7-8-12-23(22)32(33)34/h4-12,17-18H,3,13-16H2,1-2H3
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| InChIKey |
NCAZRSMRZPBXMW-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