General Information of the Compound
| Compound ID |
CP0409037
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| Compound Name |
6-nitro-N-phenyl-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
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| Structure |
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| Formula |
C21H13F3N4O2
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| Molecular Weight |
410.355
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| Canonical SMILES |
[O-][N+](=O)c1ccc2nc(nc(Nc3ccccc3)c2c1)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H13F3N4O2/c22-21(23,24)14-6-4-5-13(11-14)19-26-18-10-9-16(28(29)30)12-17(18)20(27-19)25-15-7-2-1-3-8-15/h1-12H,(H,25,26,27)
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| InChIKey |
ZFBOKNPZRRHAGS-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