General Information of the Compound
| Compound ID |
CP0959252
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| Compound Name |
2-(furan-2-yl)-3-(2-nitro-1-phenylethyl)-1H-indole
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| Structure |
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| Formula |
C20H16N2O3
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| Molecular Weight |
332.359
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| Canonical SMILES |
O=[N+]([O-])CC(c1ccccc1)c1c(-c2ccco2)[nH]c2ccccc12
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| InChI |
InChI=1S/C20H16N2O3/c23-22(24)13-16(14-7-2-1-3-8-14)19-15-9-4-5-10-17(15)21-20(19)18-11-6-12-25-18/h1-12,16,21H,13H2
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| InChIKey |
CKUQPEYXFKLSMD-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