General Information of the Compound
| Compound ID |
CP0023857
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| Compound Name |
N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
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| Structure |
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| Formula |
C41H32F3N5O2
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| Molecular Weight |
683.734
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| Canonical SMILES |
CN1CCC(CC1)NC(=O)c1ccc(cc1)-c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
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| InChI |
InChI=1S/C41H32F3N5O2/c1-48-18-16-31(17-19-48)47-40(51)26-8-6-25(7-9-26)33-13-12-32(22-35(33)41(42,43)44)49-38(50)15-11-29-23-46-37-14-10-27(21-34(37)39(29)49)30-20-28-4-2-3-5-36(28)45-24-30/h2-15,20-24,31H,16-19H2,1H3,(H,47,51)
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| InChIKey |
YACAVUFIAWVHTR-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