General Information of the Compound
| Compound ID |
CP0484658
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| Compound Name |
(2S)-1-[2,4-dichloro-3-[[2-ethyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-N-methylpyrrolidine-2-carboxamide
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| Formula |
C25H24Cl2F3N3O4S
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| Molecular Weight |
590.451
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| Canonical SMILES |
CCc1cc(c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCC[C@H]3C(=O)NC)c2n1)C(F)(F)F
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| InChI |
InChI=1S/C25H24Cl2F3N3O4S/c1-3-14-12-17(25(28,29)30)15-6-4-8-20(23(15)32-14)37-13-16-18(26)9-10-21(22(16)27)38(35,36)33-11-5-7-19(33)24(34)31-2/h4,6,8-10,12,19H,3,5,7,11,13H2,1-2H3,(H,31,34)/t19-/m0/s1
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| InChIKey |
CDFYZZFEUAFXCN-IBGZPJMESA-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