General Information of the Compound
| Compound ID |
CP0558259
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| Compound Name |
2-[(1-methylindol-3-yl)methyl]-1-(4-methylphenyl)sulfonyl-3-propan-2-ylindole
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| Structure |
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| Formula |
C28H28N2O2S
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| Molecular Weight |
456.611
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| Canonical SMILES |
CC(C)c1c(Cc2cn(C)c3ccccc23)n(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C28H28N2O2S/c1-19(2)28-24-10-6-8-12-26(24)30(33(31,32)22-15-13-20(3)14-16-22)27(28)17-21-18-29(4)25-11-7-5-9-23(21)25/h5-16,18-19H,17H2,1-4H3
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| InChIKey |
XHJJQKJCZOCMFJ-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