General Information of the Compound
| Compound ID |
CP0436073
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| Compound Name |
N-(1-adamantyl)-2-(1-pentyl-5-phenylindol-3-yl)acetamide
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| Structure |
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| Formula |
C31H38N2O
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| Molecular Weight |
454.658
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| Canonical SMILES |
CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1
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| InChI |
InChI=1S/C31H38N2O/c1-2-3-7-12-33-21-27(28-16-26(10-11-29(28)33)25-8-5-4-6-9-25)17-30(34)32-31-18-22-13-23(19-31)15-24(14-22)20-31/h4-6,8-11,16,21-24H,2-3,7,12-15,17-20H2,1H3,(H,32,34)
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| InChIKey |
WMQNLNPOKQFHIS-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2