General Information of the Compound
| Compound ID |
CP0524983
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| Compound Name |
1-[4-[1-adamantyl(phenyl)methyl]phenyl]-4-benzylpiperazine
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| Structure |
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| Formula |
C34H40N2
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| Molecular Weight |
476.708
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| Canonical SMILES |
C(N1CCN(CC1)c1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2)c1ccccc1
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| InChI |
InChI=1S/C34H40N2/c1-3-7-26(8-4-1)25-35-15-17-36(18-16-35)32-13-11-31(12-14-32)33(30-9-5-2-6-10-30)34-22-27-19-28(23-34)21-29(20-27)24-34/h1-14,27-29,33H,15-25H2
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| InChIKey |
WSPLMIUNFMARHE-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