General Information of the Compound
| Compound ID |
CP0477032
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| Compound Name |
N-(3,4-dimethoxyphenyl)-2-thiophen-2-ylquinazolin-4-amine
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| Structure |
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| Formula |
C20H17N3O2S
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| Molecular Weight |
363.442
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| Canonical SMILES |
COc1ccc(Nc2nc(nc3ccccc23)-c2cccs2)cc1OC
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| InChI |
InChI=1S/C20H17N3O2S/c1-24-16-10-9-13(12-17(16)25-2)21-19-14-6-3-4-7-15(14)22-20(23-19)18-8-5-11-26-18/h3-12H,1-2H3,(H,21,22,23)
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| InChIKey |
DXSMVRTYTCGGBA-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