General Information of the Compound
| Compound ID |
CP0517268
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| Compound Name |
1-[4-[1-adamantyl(phenyl)methyl]phenyl]-4-ethylpiperazine
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| Structure |
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| Formula |
C29H38N2
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| Molecular Weight |
414.637
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C29H38N2/c1-2-30-12-14-31(15-13-30)27-10-8-26(9-11-27)28(25-6-4-3-5-7-25)29-19-22-16-23(20-29)18-24(17-22)21-29/h3-11,22-24,28H,2,12-21H2,1H3
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| InChIKey |
YVRGGVNLKYVRQU-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