General Information of the Compound
| Compound ID |
CP0410360
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| Compound Name |
N-(3,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
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| Structure |
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| Formula |
C21H18N4O2
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| Molecular Weight |
358.401
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| Canonical SMILES |
COc1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1OC
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| InChI |
InChI=1S/C21H18N4O2/c1-26-18-8-7-15(13-19(18)27-2)23-21-16-5-3-4-6-17(16)24-20(25-21)14-9-11-22-12-10-14/h3-13H,1-2H3,(H,23,24,25)
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| InChIKey |
NBGGDMPCFUFWLU-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