General Information of the Compound
| Compound ID |
CP0524982
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| Compound Name |
1-[4-[1-adamantyl(phenyl)methyl]phenyl]-4-methylpiperazine
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| Structure |
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| Formula |
C28H36N2
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| Molecular Weight |
400.61
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C28H36N2/c1-29-11-13-30(14-12-29)26-9-7-25(8-10-26)27(24-5-3-2-4-6-24)28-18-21-15-22(19-28)17-23(16-21)20-28/h2-10,21-23,27H,11-20H2,1H3
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| InChIKey |
ZLOIGSNUNDZINZ-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