General Information of the Compound
| Compound ID |
CP0539165
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| Compound Name |
(2S)-1-[2,4-dichloro-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-N-methylpyrrolidine-2-carboxamide
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| Formula |
C24H22Cl2F3N3O4S
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| Molecular Weight |
576.424
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| Canonical SMILES |
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)C(F)(F)F)c1Cl
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| InChI |
InChI=1S/C24H22Cl2F3N3O4S/c1-13-11-16(24(27,28)29)14-5-3-7-19(22(14)31-13)36-12-15-17(25)8-9-20(21(15)26)37(34,35)32-10-4-6-18(32)23(33)30-2/h3,5,7-9,11,18H,4,6,10,12H2,1-2H3,(H,30,33)/t18-/m0/s1
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| InChIKey |
XXLHCSHDXFDLHN-SFHVURJKSA-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