General Information of the Compound
| Compound ID |
CP0484659
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| Compound Name |
(2S)-N-methyl-1-[3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide
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| Formula |
C24H24F3N3O4S
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| Molecular Weight |
507.534
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| Canonical SMILES |
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(COc2cccc3c(cc(C)nc23)C(F)(F)F)c1
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| InChI |
InChI=1S/C24H24F3N3O4S/c1-15-12-19(24(25,26)27)18-8-4-10-21(22(18)29-15)34-14-16-6-3-7-17(13-16)35(32,33)30-11-5-9-20(30)23(31)28-2/h3-4,6-8,10,12-13,20H,5,9,11,14H2,1-2H3,(H,28,31)/t20-/m0/s1
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| InChIKey |
ODYMQPRHMZQICQ-FQEVSTJZSA-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