General Information of the Compound
| Compound ID |
CP0449938
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| Compound Name |
1-[3-[4-[1-adamantyl(phenyl)methyl]phenyl]propyl]piperidine
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| Structure |
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| Formula |
C31H41N
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| Molecular Weight |
427.676
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| Canonical SMILES |
C(CN1CCCCC1)Cc1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C31H41N/c1-3-9-28(10-4-1)30(31-21-25-18-26(22-31)20-27(19-25)23-31)29-13-11-24(12-14-29)8-7-17-32-15-5-2-6-16-32/h1,3-4,9-14,25-27,30H,2,5-8,15-23H2
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| InChIKey |
REMBWHNPACHZFU-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: PT01509, Sigma non-opioid intracellular receptor 1
Cell Viability or Cytotoxicity Assay