General Information of the Compound
| Compound ID |
CP0387202
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| Compound Name |
N-(3-methoxyphenyl)-2-pyridin-2-ylquinazolin-4-amine
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| Structure |
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| Formula |
C20H16N4O
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| Molecular Weight |
328.375
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| Canonical SMILES |
COc1cccc(Nc2nc(nc3ccccc23)-c2ccccn2)c1
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| InChI |
InChI=1S/C20H16N4O/c1-25-15-8-6-7-14(13-15)22-19-16-9-2-3-10-17(16)23-20(24-19)18-11-4-5-12-21-18/h2-13H,1H3,(H,22,23,24)
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| InChIKey |
KUGQHLJFHASVHO-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