General Information of the Compound
| Compound ID |
CP0078482
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| Compound Name |
8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one
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| Structure |
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| Formula |
C32H35F2NO4
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| Molecular Weight |
535.631
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| Canonical SMILES |
CCOc1cc(CN2CCC3(CC(Cc4ccc(F)cc4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C32H35F2NO4/c1-3-37-28-18-23(19-29(38-4-2)30(28)24-7-11-27(34)12-8-24)21-35-15-13-32(14-16-35)20-25(31(36)39-32)17-22-5-9-26(33)10-6-22/h5-12,18-19,25H,3-4,13-17,20-21H2,1-2H3
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| InChIKey |
MSASPJWEPCVWIL-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: PT01196, Somatostatin receptor type 5
Protein ID: PT06443, Somatostatin receptor type 5