General Information of the Compound
| Compound ID |
CP0440892
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| Compound Name |
2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone
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| Structure |
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| Formula |
C27H27ClN6O3
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| Molecular Weight |
519.005
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| Canonical SMILES |
CN1CCN(CC1)C(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
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| InChI |
InChI=1S/C27H27ClN6O3/c1-33-11-13-34(14-12-33)25(35)17-37-24-7-4-6-22-26(24)27(31-18-30-22)32-19-8-9-23(21(28)15-19)36-16-20-5-2-3-10-29-20/h2-10,15,18H,11-14,16-17H2,1H3,(H,30,31,32)
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| InChIKey |
IQNBHURYIWAEOA-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