General Information of the Compound
| Compound ID |
CP0440750
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| Compound Name |
N-(3-fluorophenyl)-2-(3-methoxyphenyl)-6-nitroquinazolin-4-amine
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| Structure |
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| Formula |
C21H15FN4O3
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| Molecular Weight |
390.374
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| Canonical SMILES |
COc1cccc(c1)-c1nc(Nc2cccc(F)c2)c2cc(ccc2n1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H15FN4O3/c1-29-17-7-2-4-13(10-17)20-24-19-9-8-16(26(27)28)12-18(19)21(25-20)23-15-6-3-5-14(22)11-15/h2-12H,1H3,(H,23,24,25)
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| InChIKey |
NJBOUBQCRPJUIU-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