General Information of the Compound
| Compound ID |
CP0533355
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| Compound Name |
N-[4-(3-methoxyanilino)-2-pyridin-3-ylquinazolin-6-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C26H20N6O2
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| Molecular Weight |
448.486
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| Canonical SMILES |
COc1cccc(Nc2nc(nc3ccc(NC(=O)c4cccnc4)cc23)-c2cccnc2)c1
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| InChI |
InChI=1S/C26H20N6O2/c1-34-21-8-2-7-19(13-21)29-25-22-14-20(30-26(33)18-6-4-12-28-16-18)9-10-23(22)31-24(32-25)17-5-3-11-27-15-17/h2-16H,1H3,(H,30,33)(H,29,31,32)
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| InChIKey |
YIKXLYCLWMHKIQ-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