General Information of the Compound
| Compound ID |
CP0448639
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| Compound Name |
N-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]acetamide
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| Structure |
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| Formula |
C16H12BrN5O3
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| Molecular Weight |
402.208
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| Canonical SMILES |
CC(=O)Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+]([O-])=O
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| InChI |
InChI=1S/C16H12BrN5O3/c1-9(23)20-14-7-13-12(6-15(14)22(24)25)16(19-8-18-13)21-11-4-2-3-10(17)5-11/h2-8H,1H3,(H,20,23)(H,18,19,21)
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| InChIKey |
DZUKQELTOOTLPR-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