General Information of the Compound
| Compound ID |
CP0470521
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| Compound Name |
2-(1-adamantyl)-1-(1-pentylindol-3-yl)ethanone
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| Structure |
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| Formula |
C25H33NO
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| Molecular Weight |
363.545
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| Canonical SMILES |
CCCCCn1cc(C(=O)CC23CC4CC(CC(C4)C2)C3)c2ccccc12
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| InChI |
InChI=1S/C25H33NO/c1-2-3-6-9-26-17-22(21-7-4-5-8-23(21)26)24(27)16-25-13-18-10-19(14-25)12-20(11-18)15-25/h4-5,7-8,17-20H,2-3,6,9-16H2,1H3
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| InChIKey |
BRHHDIPEHOKFET-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: PT02190, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2