General Information of the Compound
| Compound ID |
CP0191974
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| Compound Name |
1-{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-2-ylmethyl}-3-trifluoromethyl-1H-pyridin-2-one
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| Structure |
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| Formula |
C28H24F3N5O2
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| Molecular Weight |
519.527
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| Canonical SMILES |
Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C28H24F3N5O2/c1-17-9-11-32-23(15-36-13-5-7-22(27(36)37)28(29,30)31)21(17)16-38-25-8-4-6-19-20(14-18(2)34-26(19)25)24-10-12-33-35(24)3/h4-14H,15-16H2,1-3H3
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| InChIKey |
MDGWFKBCHGOIRO-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