General Information of the Compound
| Compound ID |
CP0421039
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| Compound Name |
7-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole
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| Structure |
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| Formula |
C22H15F3N2O2
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| Molecular Weight |
396.368
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| Canonical SMILES |
[O-][N+](=O)CC(c1c([nH]c2c(F)cccc12)-c1cccc(F)c1)c1ccccc1F
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| InChI |
InChI=1S/C22H15F3N2O2/c23-14-6-3-5-13(11-14)21-20(16-8-4-10-19(25)22(16)26-21)17(12-27(28)29)15-7-1-2-9-18(15)24/h1-11,17,26H,12H2
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| InChIKey |
HTKWVAWIVNAHFB-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
Cell-based Assay
Protein ID: PT02190, Cannabinoid receptor 1