General Information of the Compound
| Compound ID |
CP0354747
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| Compound Name |
4-[1-(benzenesulfonyl)piperidin-4-yl]-1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidine
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| Structure |
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| Formula |
C33H41FN2O4S
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| Molecular Weight |
580.766
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)C2CCN(CC2)S(=O)(=O)c2ccccc2)cc(OCC)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C33H41FN2O4S/c1-3-39-31-22-25(23-32(40-4-2)33(31)28-10-12-29(34)13-11-28)24-35-18-14-26(15-19-35)27-16-20-36(21-17-27)41(37,38)30-8-6-5-7-9-30/h5-13,22-23,26-27H,3-4,14-21,24H2,1-2H3
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| InChIKey |
LLMDFLGIOTWWTF-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