General Information of the Compound
| Compound ID |
CP0430535
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| Compound Name |
N-(4-bromo-3-methoxyphenyl)-2-(3-nitrophenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C21H15BrN4O3
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| Molecular Weight |
451.28
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| Canonical SMILES |
COc1cc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)ccc1Br
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| InChI |
InChI=1S/C21H15BrN4O3/c1-29-19-12-14(9-10-17(19)22)23-21-16-7-2-3-8-18(16)24-20(25-21)13-5-4-6-15(11-13)26(27)28/h2-12H,1H3,(H,23,24,25)
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| InChIKey |
SPRPHOGHAQYAGS-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