General Information of the Compound
| Compound ID |
CP0393132
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| Compound Name |
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-nitrophenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C22H16N4O4
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| Molecular Weight |
400.394
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1nc(Nc2ccc3OCCOc3c2)c2ccccc2n1
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| InChI |
InChI=1S/C22H16N4O4/c27-26(28)16-5-3-4-14(12-16)21-24-18-7-2-1-6-17(18)22(25-21)23-15-8-9-19-20(13-15)30-11-10-29-19/h1-9,12-13H,10-11H2,(H,23,24,25)
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| InChIKey |
OMKIKZHXUWUGMI-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