General Information of the Compound
| Compound ID |
CP0537636
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| Compound Name |
8-[[2,6-dichloro-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]methoxy]-2-methyl-4-(trifluoromethyl)quinoline
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| Formula |
C24H23Cl2F3N2O4S
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| Molecular Weight |
563.425
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| Canonical SMILES |
COC[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)C(F)(F)F)c1Cl
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| InChI |
InChI=1S/C24H23Cl2F3N2O4S/c1-14-11-18(24(27,28)29)16-6-3-7-20(23(16)30-14)35-13-17-19(25)8-9-21(22(17)26)36(32,33)31-10-4-5-15(31)12-34-2/h3,6-9,11,15H,4-5,10,12-13H2,1-2H3/t15-/m0/s1
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| InChIKey |
DFPPTJOIIMQKRD-HNNXBMFYSA-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