General Information of the Compound
| Compound ID |
CP0519447
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| Compound Name |
3-[1H-indol-3-yl-(4-nitrophenyl)methyl]-1H-indole
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| Structure |
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| Formula |
C23H17N3O2
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| Molecular Weight |
367.408
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C23H17N3O2/c27-26(28)16-11-9-15(10-12-16)23(19-13-24-21-7-3-1-5-17(19)21)20-14-25-22-8-4-2-6-18(20)22/h1-14,23-25H
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| InChIKey |
OESZGFYDUDJFLN-UHFFFAOYSA-N
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| CAS |
7501-91-9
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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