General Information of the Compound
| Compound ID |
CP0546423
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| Compound Name |
N-[2-(2,5-difluorophenyl)pyridin-4-yl]-7-[6-(dimethylamino)pyridin-3-yl]quinolin-4-amine
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| Formula |
C27H21F2N5
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| Molecular Weight |
453.496
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| Canonical SMILES |
CN(C)c1ccc(cn1)-c1ccc2c(Nc3ccnc(c3)-c3cc(F)ccc3F)ccnc2c1
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| InChI |
InChI=1S/C27H21F2N5/c1-34(2)27-8-4-18(16-32-27)17-3-6-21-24(10-12-31-25(21)13-17)33-20-9-11-30-26(15-20)22-14-19(28)5-7-23(22)29/h3-16H,1-2H3,(H,30,31,33)
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| InChIKey |
GEXQOWXUUAFSOV-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