General Information of the Compound
| Compound ID |
CP0499167
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| Compound Name |
4-[2-methyl-4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]phenyl]-N-(1-methylpiperidin-4-yl)benzamide
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| Structure |
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| Formula |
C35H32N6O2
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| Molecular Weight |
568.681
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| Canonical SMILES |
CN1CCC(CC1)NC(=O)c1ccc(cc1)-c1ccc(cc1C)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
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| InChI |
InChI=1S/C35H32N6O2/c1-22-17-29(9-10-30(22)23-3-5-24(6-4-23)35(43)39-28-13-15-40(2)16-14-28)41-33(42)12-8-26-19-36-32-11-7-25(18-31(32)34(26)41)27-20-37-38-21-27/h3-12,17-21,28H,13-16H2,1-2H3,(H,37,38)(H,39,43)
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| InChIKey |
CIFNTXGIRNWEEQ-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