General Information of the Compound
| Compound ID |
CP0419094
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| Compound Name |
N-[2-(2,5-difluorophenyl)pyridin-4-yl]-7-(2,4,6-trimethoxyphenyl)quinolin-4-amine
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| Formula |
C29H23F2N3O3
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| Molecular Weight |
499.517
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| Canonical SMILES |
COc1cc(OC)c(c(OC)c1)-c1ccc2c(Nc3ccnc(c3)-c3cc(F)ccc3F)ccnc2c1
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| InChI |
InChI=1S/C29H23F2N3O3/c1-35-20-15-27(36-2)29(28(16-20)37-3)17-4-6-21-24(9-11-33-25(21)12-17)34-19-8-10-32-26(14-19)22-13-18(30)5-7-23(22)31/h4-16H,1-3H3,(H,32,33,34)
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| InChIKey |
PEDFUAOXMJIRNE-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