General Information of the Compound
| Compound ID |
CP0549066
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| Compound Name |
N-[2-(2,5-difluorophenyl)pyridin-4-yl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine
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| Formula |
C28H21F2N3O2
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| Molecular Weight |
469.491
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| Canonical SMILES |
COc1cccc(OC)c1-c1ccc2c(Nc3ccnc(c3)-c3cc(F)ccc3F)ccnc2c1
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| InChI |
InChI=1S/C28H21F2N3O2/c1-34-26-4-3-5-27(35-2)28(26)17-6-8-20-23(11-13-32-24(20)14-17)33-19-10-12-31-25(16-19)21-15-18(29)7-9-22(21)30/h3-16H,1-2H3,(H,31,32,33)
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| InChIKey |
VVLHMBWMVMBVRL-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