General Information of the Compound
| Compound ID |
CP0408582
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| Compound Name |
1-[3-[4-[1-adamantyl(phenyl)methyl]phenyl]propyl]piperazine
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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 |
C(CN1CCNCC1)Cc1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C30H40N2/c1-2-6-27(7-3-1)29(30-20-24-17-25(21-30)19-26(18-24)22-30)28-10-8-23(9-11-28)5-4-14-32-15-12-31-13-16-32/h1-3,6-11,24-26,29,31H,4-5,12-22H2
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| InChIKey |
NLPCIAQGLDYVHC-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