General Information of the Compound
| Compound ID |
CP0432478
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| Compound Name |
4-chloro-2-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine
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| Structure |
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| Formula |
C26H29ClFN3O3
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| Molecular Weight |
485.987
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Oc2nccc(Cl)n2)cc(OCC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H29ClFN3O3/c1-3-32-22-15-18(16-23(33-4-2)25(22)19-5-7-20(28)8-6-19)17-31-13-10-21(11-14-31)34-26-29-12-9-24(27)30-26/h5-9,12,15-16,21H,3-4,10-11,13-14,17H2,1-2H3
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| InChIKey |
JJJIXIANJCZSID-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