General Information of the Compound
| Compound ID |
CP0543607
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| Compound Name |
(2S)-1-[2,4-dichloro-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C23H19Cl2F3N2O5S
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| Molecular Weight |
563.381
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| Canonical SMILES |
Cc1cc(c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCC[C@H]3C(O)=O)c2n1)C(F)(F)F
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| InChI |
InChI=1S/C23H19Cl2F3N2O5S/c1-12-10-15(23(26,27)28)13-4-2-6-18(21(13)29-12)35-11-14-16(24)7-8-19(20(14)25)36(33,34)30-9-3-5-17(30)22(31)32/h2,4,6-8,10,17H,3,5,9,11H2,1H3,(H,31,32)/t17-/m0/s1
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| InChIKey |
MIGGVSPGGBXWCT-KRWDZBQOSA-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