General Information of the Compound
| Compound ID |
CP0128007
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| Compound Name |
4-(3-(3-chloro-5-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)quinoline-3-carboxamide
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| Structure |
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| Formula |
C24H16ClF3N2O4S
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| Molecular Weight |
520.916
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| Canonical SMILES |
CS(=O)(=O)c1cc(Cl)cc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1
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| InChI |
InChI=1S/C24H16ClF3N2O4S/c1-35(32,33)17-10-14(25)9-16(11-17)34-15-5-2-4-13(8-15)21-18-6-3-7-20(24(26,27)28)22(18)30-12-19(21)23(29)31/h2-12H,1H3,(H2,29,31)
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| InChIKey |
OXAVBDIDWNTRGP-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