General Information of the Compound
| Compound ID |
CP0552757
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| Compound Name |
2,3-dimethyl-N-[2-[(5-methyl-1-methylsulfonylindol-2-yl)methoxymethyl]phenyl]aniline
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| Structure |
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| Formula |
C26H28N2O3S
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| Molecular Weight |
448.588
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| Canonical SMILES |
Cc1ccc2n(c(COCc3ccccc3Nc3cccc(C)c3C)cc2c1)S(C)(=O)=O
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| InChI |
InChI=1S/C26H28N2O3S/c1-18-12-13-26-22(14-18)15-23(28(26)32(4,29)30)17-31-16-21-9-5-6-10-25(21)27-24-11-7-8-19(2)20(24)3/h5-15,27H,16-17H2,1-4H3
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| InChIKey |
VPKGQCUZXQPJNO-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