General Information of the Compound
| Compound ID |
CP0396392
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| Compound Name |
1-[2-[4-[1-adamantyl(phenyl)methyl]phenyl]ethyl]-4-methylpiperazine
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| Structure |
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| Formula |
C30H40N2
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| Molecular Weight |
428.664
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| Canonical SMILES |
CN1CCN(CCc2ccc(cc2)C(c2ccccc2)C23CC4CC(CC(C4)C2)C3)CC1
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| InChI |
InChI=1S/C30H40N2/c1-31-13-15-32(16-14-31)12-11-23-7-9-28(10-8-23)29(27-5-3-2-4-6-27)30-20-24-17-25(21-30)19-26(18-24)22-30/h2-10,24-26,29H,11-22H2,1H3
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| InChIKey |
LYYKTBPUPZEIDM-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