General Information of the Compound
| Compound ID |
CP0551136
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| Compound Name |
7-{[(3,5-dibromophenyl)methyl]oxy}-N-(3,4- dichlorophenyl)-6-(methyloxy)quinazolin-4- amine
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| Structure |
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| Formula |
C22H15Br2Cl2N3O2
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| Molecular Weight |
584.095
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cc(Br)cc(Br)c1
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| InChI |
InChI=1S/C22H15Br2Cl2N3O2/c1-30-20-8-16-19(9-21(20)31-10-12-4-13(23)6-14(24)5-12)27-11-28-22(16)29-15-2-3-17(25)18(26)7-15/h2-9,11H,10H2,1H3,(H,27,28,29)
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| InChIKey |
YETQQFMHUDZVIA-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