General Information of the Compound
| Compound ID |
CP0050737
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| Compound Name |
4-N-(3-bromophenyl)-7-N-methyl-6-nitroquinazoline-4,7-diamine
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| Structure |
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| Formula |
C15H12BrN5O2
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| Molecular Weight |
374.198
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| Canonical SMILES |
CNc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+]([O-])=O
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| InChI |
InChI=1S/C15H12BrN5O2/c1-17-13-7-12-11(6-14(13)21(22)23)15(19-8-18-12)20-10-4-2-3-9(16)5-10/h2-8,17H,1H3,(H,18,19,20)
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| InChIKey |
SIBSADYFORJTDQ-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