General Information of the Compound
| Compound ID |
CP0452777
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| Compound Name |
1-[3-[4-[1-adamantyl(phenyl)methyl]phenyl]propyl]-4-methylpiperazine
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| Structure |
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| Formula |
C31H42N2
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| Molecular Weight |
442.691
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| Canonical SMILES |
CN1CCN(CCCc2ccc(cc2)C(c2ccccc2)C23CC4CC(CC(C4)C2)C3)CC1
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| InChI |
InChI=1S/C31H42N2/c1-32-14-16-33(17-15-32)13-5-6-24-9-11-29(12-10-24)30(28-7-3-2-4-8-28)31-21-25-18-26(22-31)20-27(19-25)23-31/h2-4,7-12,25-27,30H,5-6,13-23H2,1H3
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| InChIKey |
DOUDDYLEUDBZLJ-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