General Information of the Compound
| Compound ID |
CP0393144
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| Compound Name |
N-(4-bromo-3-methoxyphenyl)-2-(3,4-dimethoxyphenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C23H20BrN3O3
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| Molecular Weight |
466.335
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nc(Nc2ccc(Br)c(OC)c2)c2ccccc2n1
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| InChI |
InChI=1S/C23H20BrN3O3/c1-28-19-11-8-14(12-21(19)30-3)22-26-18-7-5-4-6-16(18)23(27-22)25-15-9-10-17(24)20(13-15)29-2/h4-13H,1-3H3,(H,25,26,27)
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| InChIKey |
XIOGIHBUIABXJF-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
Protein ID: PT02516, Multidrug resistance-associated protein 1