General Information of the Compound
| Compound ID |
CP0481656
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| Compound Name |
N-(3,5-dinitrophenyl)-2-(3-methoxyphenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C21H15N5O5
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| Molecular Weight |
417.381
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| Canonical SMILES |
COc1cccc(c1)-c1nc(Nc2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c2ccccc2n1
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| InChI |
InChI=1S/C21H15N5O5/c1-31-17-6-4-5-13(9-17)20-23-19-8-3-2-7-18(19)21(24-20)22-14-10-15(25(27)28)12-16(11-14)26(29)30/h2-12H,1H3,(H,22,23,24)
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| InChIKey |
DZMLMXPNPKXTRR-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