General Information of the Compound
| Compound ID |
CP0424357
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| Compound Name |
2-[(1-methylindol-3-yl)methyl]-1-(4-methylphenyl)sulfonyl-3-phenylindole
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| Structure |
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| Formula |
C31H26N2O2S
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| Molecular Weight |
490.628
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)n1c(Cc2cn(C)c3ccccc23)c(-c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C31H26N2O2S/c1-22-16-18-25(19-17-22)36(34,35)33-29-15-9-7-13-27(29)31(23-10-4-3-5-11-23)30(33)20-24-21-32(2)28-14-8-6-12-26(24)28/h3-19,21H,20H2,1-2H3
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| InChIKey |
MBOLKDRALLJEII-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