General Information of the Compound
| Compound ID |
CP0441402
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| Compound Name |
4-[2-methyl-4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]-N-(1-methylpiperidin-4-yl)benzamide
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| Structure |
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| Formula |
C36H34N6O2
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| Molecular Weight |
582.708
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| Canonical SMILES |
CN1CCC(CC1)NC(=O)c1ccc(cc1)-c1ccc(cc1C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnn(C)c1
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| InChI |
InChI=1S/C36H34N6O2/c1-23-18-30(10-11-31(23)24-4-6-25(7-5-24)36(44)39-29-14-16-40(2)17-15-29)42-34(43)13-9-27-20-37-33-12-8-26(19-32(33)35(27)42)28-21-38-41(3)22-28/h4-13,18-22,29H,14-17H2,1-3H3,(H,39,44)
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| InChIKey |
LHQLXWLOIGQADE-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