General Information of the Compound
| Compound ID |
CP0884345
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| Compound Name |
1-(2-((2,6-Diethoxy-4'-fluorobiphenyl-4-yl)methyl)-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl)azetidine-3-carboxylic acid hydrochloride
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| Structure |
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| Formula |
C26H31ClFN3O5
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| Molecular Weight |
520.001
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| Canonical SMILES |
CCOc1cc(CN2CC3(CC(N4CC(C(=O)O)C4)=NO3)C2)cc(OCC)c1-c1ccc(F)cc1.Cl
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| InChI |
InChI=1S/C26H30FN3O5.ClH/c1-3-33-21-9-17(10-22(34-4-2)24(21)18-5-7-20(27)8-6-18)12-29-15-26(16-29)11-23(28-35-26)30-13-19(14-30)25(31)32;/h5-10,19H,3-4,11-16H2,1-2H3,(H,31,32);1H
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| InChIKey |
LCENKAUWAMPZAN-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