General Information of the Compound
| Compound ID |
CP0516635
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| Compound Name |
2,3-dimethyl-N-[2-[(1-methylsulfonylindol-2-yl)methoxymethyl]phenyl]aniline
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| Structure |
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| Formula |
C25H26N2O3S
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| Molecular Weight |
434.561
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| Canonical SMILES |
Cc1cccc(Nc2ccccc2COCc2cc3ccccc3n2S(C)(=O)=O)c1C
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| InChI |
InChI=1S/C25H26N2O3S/c1-18-9-8-13-23(19(18)2)26-24-12-6-4-11-21(24)16-30-17-22-15-20-10-5-7-14-25(20)27(22)31(3,28)29/h4-15,26H,16-17H2,1-3H3
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| InChIKey |
XJJHUZBZIROIMD-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