General Information of the Compound
| Compound ID |
CP0923266
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| Compound Name |
3-(1-(2,6-dichlorophenyl)-2-nitroethyl)-2-phenyl-1H-indole
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| Formula |
C22H16Cl2N2O2
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| Molecular Weight |
411.288
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| Canonical SMILES |
O=[N+]([O-])CC(c1c(Cl)cccc1Cl)c1c(-c2ccccc2)[nH]c2ccccc12
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| InChI |
InChI=1S/C22H16Cl2N2O2/c23-17-10-6-11-18(24)21(17)16(13-26(27)28)20-15-9-4-5-12-19(15)25-22(20)14-7-2-1-3-8-14/h1-12,16,25H,13H2
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| InChIKey |
KJAQJGGARCJVFN-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