General Information of the Compound
| Compound ID |
CP0443241
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| Compound Name |
4-[4-(4-nitrophenyl)piperazin-1-yl]-2-phenylquinazoline
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| Structure |
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| Formula |
C24H21N5O2
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| Molecular Weight |
411.465
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)c1nc(nc2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C24H21N5O2/c30-29(31)20-12-10-19(11-13-20)27-14-16-28(17-15-27)24-21-8-4-5-9-22(21)25-23(26-24)18-6-2-1-3-7-18/h1-13H,14-17H2
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| InChIKey |
YWSAMOFKQPMTKN-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