General Information of the Compound
| Compound ID |
CP0424026
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| Compound Name |
N-(1-adamantyl)-2-(1-benzyl-5-phenylindol-3-yl)acetamide
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| Structure |
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| Formula |
C33H34N2O
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| Molecular Weight |
474.648
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| Canonical SMILES |
O=C(Cc1cn(Cc2ccccc2)c2ccc(cc12)-c1ccccc1)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C33H34N2O/c36-32(34-33-18-24-13-25(19-33)15-26(14-24)20-33)17-29-22-35(21-23-7-3-1-4-8-23)31-12-11-28(16-30(29)31)27-9-5-2-6-10-27/h1-12,16,22,24-26H,13-15,17-21H2,(H,34,36)
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| InChIKey |
JTFQHOWRERLRTC-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