General Information of the Compound
| Compound ID |
CP0484661
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| Compound Name |
8-[(2,6-dichloro-3-piperidin-1-ylsulfonylphenyl)methoxy]-2-methyl-4-(trifluoromethyl)quinoline
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| Formula |
C23H21Cl2F3N2O3S
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| Molecular Weight |
533.399
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| Canonical SMILES |
Cc1cc(c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCCCC3)c2n1)C(F)(F)F
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| InChI |
InChI=1S/C23H21Cl2F3N2O3S/c1-14-12-17(23(26,27)28)15-6-5-7-19(22(15)29-14)33-13-16-18(24)8-9-20(21(16)25)34(31,32)30-10-3-2-4-11-30/h5-9,12H,2-4,10-11,13H2,1H3
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| InChIKey |
YLHNDWLNWMLYCU-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