General Information of the Compound
| Compound ID |
CP0200649
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| Compound Name |
6-methyl-3-(2-nitro-1-thiophen-2-ylethyl)-2-phenyl-1H-indole
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| Structure |
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| Formula |
C21H18N2O2S
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| Molecular Weight |
362.454
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| Canonical SMILES |
Cc1ccc2c(C(C[N+]([O-])=O)c3cccs3)c([nH]c2c1)-c1ccccc1
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| InChI |
InChI=1S/C21H18N2O2S/c1-14-9-10-16-18(12-14)22-21(15-6-3-2-4-7-15)20(16)17(13-23(24)25)19-8-5-11-26-19/h2-12,17,22H,13H2,1H3
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| InChIKey |
RJSPNRDBWHHFMH-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