General Information of the Compound
| Compound ID |
CP0016777
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| Compound Name |
2-bromo-4-(6,7-dimethoxyquinazolin-4-ylamino)phenol
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| Synonyms |
WHI-P154
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| Structure |
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| Formula |
C16H14BrN3O3
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| Molecular Weight |
376.21
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC
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| InChI |
InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)
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| InChIKey |
CBIAKDAYHRWZCU-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Clinical Information about the Compound