General Information of the Compound
| Compound ID |
CP0387307
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| Compound Name |
(4-methoxyphenyl)-[2-(4-pyridyl)quinazolin-4-yl]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 |
COc1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1
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| InChI |
InChI=1S/C20H16N4O/c1-25-16-8-6-15(7-9-16)22-20-17-4-2-3-5-18(17)23-19(24-20)14-10-12-21-13-11-14/h2-13H,1H3,(H,22,23,24)
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| InChIKey |
UTHOAQNMUUCAAM-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT06109, Geminin
Protein ID: PT02516, Multidrug resistance-associated protein 1