General Information of the Compound
| Compound ID |
CP0552756
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| Compound Name |
N-[2-[(5-chloro-1-methylsulfonylindol-2-yl)methoxymethyl]phenyl]-2,3-dimethylaniline
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| Structure |
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| Formula |
C25H25ClN2O3S
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| Molecular Weight |
469.006
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| Canonical SMILES |
Cc1cccc(Nc2ccccc2COCc2cc3cc(Cl)ccc3n2S(C)(=O)=O)c1C
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| InChI |
InChI=1S/C25H25ClN2O3S/c1-17-7-6-10-23(18(17)2)27-24-9-5-4-8-19(24)15-31-16-22-14-20-13-21(26)11-12-25(20)28(22)32(3,29)30/h4-14,27H,15-16H2,1-3H3
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| InChIKey |
XRIHAKQYWBRZAG-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