General Information of the Compound
| Compound ID |
CP0966520
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| Compound Name |
N-(3,4-dichlorophenyl)-7-{[(4-octylmorpholin-2-yl)methyl]oxy}-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C28H36Cl2N4O3
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| Molecular Weight |
547.527
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| Canonical SMILES |
CCCCCCCCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C28H36Cl2N4O3/c1-3-4-5-6-7-8-11-34-12-13-36-21(17-34)18-37-27-16-25-22(15-26(27)35-2)28(32-19-31-25)33-20-9-10-23(29)24(30)14-20/h9-10,14-16,19,21H,3-8,11-13,17-18H2,1-2H3,(H,31,32,33)
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| InChIKey |
WEAZKUYDPMNZPH-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