General Information of the Compound
| Compound ID |
CP0947567
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| Compound Name |
3-(1-([1,1'-biphenyl]-4-yl)-2-nitroethyl)-2-phenyl-1H-indole
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| Structure |
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| Formula |
C28H22N2O2
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| Molecular Weight |
418.496
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| Canonical SMILES |
O=[N+]([O-])CC(c1ccc(-c2ccccc2)cc1)c1c(-c2ccccc2)[nH]c2ccccc12
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| InChI |
InChI=1S/C28H22N2O2/c31-30(32)19-25(22-17-15-21(16-18-22)20-9-3-1-4-10-20)27-24-13-7-8-14-26(24)29-28(27)23-11-5-2-6-12-23/h1-18,25,29H,19H2
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| InChIKey |
PJFVPZZGRUKOHT-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