General Information of the Compound
| Compound ID |
CP0389588
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| Compound Name |
N-(3,4-dimethoxyphenyl)-6-nitro-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
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| Structure |
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| Formula |
C23H17F3N4O4
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| Molecular Weight |
470.407
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| Canonical SMILES |
COc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccc(c2)C(F)(F)F)cc1OC
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| InChI |
InChI=1S/C23H17F3N4O4/c1-33-19-9-6-15(11-20(19)34-2)27-22-17-12-16(30(31)32)7-8-18(17)28-21(29-22)13-4-3-5-14(10-13)23(24,25)26/h3-12H,1-2H3,(H,27,28,29)
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| InChIKey |
RREYFAKMGYIYMQ-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