General Information of the Compound
| Compound ID |
CP0402502
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| Compound Name |
3-N,3-N-dimethyl-1-N-[2-(3-nitrophenyl)quinazolin-4-yl]benzene-1,3-diamine
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| Structure |
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| Formula |
C22H19N5O2
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| Molecular Weight |
385.427
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| Canonical SMILES |
CN(C)c1cccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)c1
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| InChI |
InChI=1S/C22H19N5O2/c1-26(2)17-9-6-8-16(14-17)23-22-19-11-3-4-12-20(19)24-21(25-22)15-7-5-10-18(13-15)27(28)29/h3-14H,1-2H3,(H,23,24,25)
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| InChIKey |
VWASOEVNKHGWLH-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