General Information of the Compound
| Compound ID |
CP0383544
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| Compound Name |
4-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]amino]-2-nitrophenol
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| Structure |
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| Formula |
C22H18N4O5
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| Molecular Weight |
418.409
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nc(Nc2ccc(O)c(c2)[N+]([O-])=O)c2ccccc2n1
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| InChI |
InChI=1S/C22H18N4O5/c1-30-19-10-7-13(11-20(19)31-2)21-24-16-6-4-3-5-15(16)22(25-21)23-14-8-9-18(27)17(12-14)26(28)29/h3-12,27H,1-2H3,(H,23,24,25)
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| InChIKey |
ZSTHOJTUHRHLBS-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