General Information of the Compound
| Compound ID |
CP0136365
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| Compound Name |
8-[[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]methoxy]quinoline
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| Structure |
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| Formula |
C32H35FN2O3
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| Molecular Weight |
514.641
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| Canonical SMILES |
CCOc1cc(CN2CCC(COc3cccc4cccnc34)CC2)cc(OCC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C32H35FN2O3/c1-3-36-29-19-24(20-30(37-4-2)31(29)25-10-12-27(33)13-11-25)21-35-17-14-23(15-18-35)22-38-28-9-5-7-26-8-6-16-34-32(26)28/h5-13,16,19-20,23H,3-4,14-15,17-18,21-22H2,1-2H3
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| InChIKey |
FUSKAZYRYKJDCI-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: PT06443, Somatostatin receptor type 5
Protein ID: PT01196, Somatostatin receptor type 5