General Information of the Compound
| Compound ID |
CP0899594
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| Compound Name |
N-(3,4-dichlorophenyl)-7-{[(4-hexanoylmorpholin-2-yl)methyl]oxy}-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C26H30Cl2N4O4
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| Molecular Weight |
533.456
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| Canonical SMILES |
CCCCCC(=O)N1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C26H30Cl2N4O4/c1-3-4-5-6-25(33)32-9-10-35-18(14-32)15-36-24-13-22-19(12-23(24)34-2)26(30-16-29-22)31-17-7-8-20(27)21(28)11-17/h7-8,11-13,16,18H,3-6,9-10,14-15H2,1-2H3,(H,29,30,31)
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| InChIKey |
SWQHCAPKAPNADM-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