General Information of the Compound
| Compound ID |
CP0500705
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| Compound Name |
2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxy-N-(2-hydroxyethyl)-N-methylacetamide
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| Structure |
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| Formula |
C25H24ClN5O4
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| Molecular Weight |
493.951
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| Canonical SMILES |
CN(CCO)C(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
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| InChI |
InChI=1S/C25H24ClN5O4/c1-31(11-12-32)23(33)15-35-22-7-4-6-20-24(22)25(29-16-28-20)30-17-8-9-21(19(26)13-17)34-14-18-5-2-3-10-27-18/h2-10,13,16,32H,11-12,14-15H2,1H3,(H,28,29,30)
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| InChIKey |
DQSMJIPNCYLKDQ-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