General Information of the Compound
| Compound ID |
CP0146604
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| Compound Name |
1-(3-bromophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]urea
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| Structure |
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| Formula |
C24H21BrN4O4
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| Molecular Weight |
509.36
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| Canonical SMILES |
COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)c(C)c3)c2cc1OC
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| InChI |
InChI=1S/C24H21BrN4O4/c1-14-9-17(7-8-19(14)29-24(30)28-16-6-4-5-15(25)10-16)33-23-18-11-21(31-2)22(32-3)12-20(18)26-13-27-23/h4-13H,1-3H3,(H2,28,29,30)
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| InChIKey |
TWSLTXFHHAGIIC-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