General Information of the Compound
| Compound ID |
CP0409100
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| Compound Name |
4-[[2-(3-methoxyphenyl)-6-nitroquinazolin-4-yl]amino]benzonitrile
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| Structure |
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| Formula |
C22H15N5O3
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| Molecular Weight |
397.394
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| Canonical SMILES |
COc1cccc(c1)-c1nc(Nc2ccc(cc2)C#N)c2cc(ccc2n1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H15N5O3/c1-30-18-4-2-3-15(11-18)21-25-20-10-9-17(27(28)29)12-19(20)22(26-21)24-16-7-5-14(13-23)6-8-16/h2-12H,1H3,(H,24,25,26)
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| InChIKey |
WXTCWMHQXNRPEX-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