General Information of the Compound
| Compound ID |
CP0243589
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| Compound Name |
4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
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| Structure |
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| Formula |
C41H35N5O2
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| Molecular Weight |
629.764
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| Canonical SMILES |
CN1CCC(CC1)NC(=O)c1ccc(cc1)-c1ccc(cc1C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
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| InChI |
InChI=1S/C41H35N5O2/c1-26-21-34(13-14-35(26)27-7-9-28(10-8-27)41(48)44-33-17-19-45(2)20-18-33)46-39(47)16-12-31-24-43-38-15-11-29(23-36(38)40(31)46)32-22-30-5-3-4-6-37(30)42-25-32/h3-16,21-25,33H,17-20H2,1-2H3,(H,44,48)
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| InChIKey |
OQNZFXCQVQSQDF-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