General Information of the Compound
| Compound ID |
CP0421042
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| Compound Name |
3-(2-nitro-1-phenylethyl)-2-phenyl-1H-indole
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| Structure |
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| Formula |
C22H18N2O2
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| Molecular Weight |
342.398
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| Canonical SMILES |
[O-][N+](=O)CC(c1c([nH]c2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C22H18N2O2/c25-24(26)15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)23-22(21)17-11-5-2-6-12-17/h1-14,19,23H,15H2
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| InChIKey |
OHZDCJJHWPHZJD-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
Protein ID: PT01715, Cannabinoid receptor 1