General Information of the Compound
| Compound ID |
CP0508457
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| Compound Name |
N-cyclohexyl-2-(3-nitrophenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C20H20N4O2
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| Molecular Weight |
348.406
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1nc(NC2CCCCC2)c2ccccc2n1
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| InChI |
InChI=1S/C20H20N4O2/c25-24(26)16-10-6-7-14(13-16)19-22-18-12-5-4-11-17(18)20(23-19)21-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9H2,(H,21,22,23)
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| InChIKey |
NWEPEEUHKIQIGL-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