General Information of the Compound
| Compound ID |
CP0487449
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| Compound Name |
1-[2,4-dichloro-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonylpiperidine-4-carbonitrile
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| Formula |
C24H20Cl2F3N3O3S
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| Molecular Weight |
558.409
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| Canonical SMILES |
Cc1cc(c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCC(CC3)C#N)c2n1)C(F)(F)F
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| InChI |
InChI=1S/C24H20Cl2F3N3O3S/c1-14-11-18(24(27,28)29)16-3-2-4-20(23(16)31-14)35-13-17-19(25)5-6-21(22(17)26)36(33,34)32-9-7-15(12-30)8-10-32/h2-6,11,15H,7-10,13H2,1H3
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| InChIKey |
KFDYUAPTLKANJE-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