General Information of the Compound
| Compound ID |
CP0458710
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| Compound Name |
(4-iodonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
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| Structure |
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| Formula |
C23H20INO
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| Molecular Weight |
453.323
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| Canonical SMILES |
CCCn1c(C)c(C(=O)c2ccc(I)c3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C23H20INO/c1-3-14-25-15(2)22(19-10-6-7-11-21(19)25)23(26)18-12-13-20(24)17-9-5-4-8-16(17)18/h4-13H,3,14H2,1-2H3
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| InChIKey |
ASORYXQOVKWBMX-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