General Information of the Compound
| Compound ID |
CP0458205
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| Compound Name |
1-Naphthyl(1-butyl-1H-indole-3-yl)methanone
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| Structure |
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| Formula |
C23H21NO
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| Molecular Weight |
327.427
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| Canonical SMILES |
CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3
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| InChIKey |
VCHHHSMPMLNVGS-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: PT01715, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2