General Information of the Compound
| Compound ID |
CP0380945
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| Compound Name |
2-(3,4-dimethoxyphenyl)-N-(3-nitrophenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C22H18N4O4
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| Molecular Weight |
402.41
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nc(Nc2cccc(c2)[N+]([O-])=O)c2ccccc2n1
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| InChI |
InChI=1S/C22H18N4O4/c1-29-19-11-10-14(12-20(19)30-2)21-24-18-9-4-3-8-17(18)22(25-21)23-15-6-5-7-16(13-15)26(27)28/h3-13H,1-2H3,(H,23,24,25)
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| InChIKey |
GREUUZTVKZZOGK-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