General Information of the Compound
| Compound ID |
CP0485784
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| Compound Name |
3-(4-benzylphenyl)-8-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-one
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| Structure |
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| Formula |
C26H25FN4O
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| Molecular Weight |
428.511
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| Canonical SMILES |
CN1CCN(CC1)c1nc2c(F)cccc2c(=O)n1-c1ccc(Cc2ccccc2)cc1
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| InChI |
InChI=1S/C26H25FN4O/c1-29-14-16-30(17-15-29)26-28-24-22(8-5-9-23(24)27)25(32)31(26)21-12-10-20(11-13-21)18-19-6-3-2-4-7-19/h2-13H,14-18H2,1H3
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| InChIKey |
HZAQSUDKHPXQSV-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