General Information of the Compound
| Compound ID |
CP0542425
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| Compound Name |
N-(1-adamantyl)-2-(5-bromo-1-pentylindol-3-yl)acetamide
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| Structure |
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| Formula |
C25H33BrN2O
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| Molecular Weight |
457.456
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| Canonical SMILES |
CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(Br)ccc12
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| InChI |
InChI=1S/C25H33BrN2O/c1-2-3-4-7-28-16-20(22-12-21(26)5-6-23(22)28)11-24(29)27-25-13-17-8-18(14-25)10-19(9-17)15-25/h5-6,12,16-19H,2-4,7-11,13-15H2,1H3,(H,27,29)
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| InChIKey |
CCDDFRFFGRIXTC-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