General Information of the Compound
| Compound ID |
CP0444605
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| Compound Name |
N-[2-(2-fluorophenyl)pyridin-4-yl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
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| Formula |
C27H20FN3O2S
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| Molecular Weight |
469.541
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccnc(c3)-c3ccccc3F)ccnc2c1
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| InChI |
InChI=1S/C27H20FN3O2S/c1-34(32,33)21-9-6-18(7-10-21)19-8-11-23-25(13-15-30-26(23)16-19)31-20-12-14-29-27(17-20)22-4-2-3-5-24(22)28/h2-17H,1H3,(H,29,30,31)
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| InChIKey |
LXSCQGMBFODPHP-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