General Information of the Compound
| Compound ID |
CP0966523
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| Compound Name |
7-[({4-[(4-butylphenyl)carbonyl]morpholin-2-yl}methyl)oxy]-N-(3,4-dichlorophenyl)-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C31H32Cl2N4O4
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| Molecular Weight |
595.527
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| Canonical SMILES |
CCCCc1ccc(C(=O)N2CCOC(COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4cc3OC)C2)cc1
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| InChI |
InChI=1S/C31H32Cl2N4O4/c1-3-4-5-20-6-8-21(9-7-20)31(38)37-12-13-40-23(17-37)18-41-29-16-27-24(15-28(29)39-2)30(35-19-34-27)36-22-10-11-25(32)26(33)14-22/h6-11,14-16,19,23H,3-5,12-13,17-18H2,1-2H3,(H,34,35,36)
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| InChIKey |
SYLHDCKBBWIRTH-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