General Information of the Compound
| Compound ID |
CP0485991
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| Compound Name |
6-fluoro-8-methyl-2-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one
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| Structure |
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| Formula |
C21H22FN3O
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| Molecular Weight |
351.425
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| Canonical SMILES |
CN1CCC(CC1)c1ccc(cc1)-c1nc2c(C)cc(F)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H22FN3O/c1-13-11-17(22)12-18-19(13)23-20(24-21(18)26)16-5-3-14(4-6-16)15-7-9-25(2)10-8-15/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,24,26)
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| InChIKey |
XTEDLLOZIRDMGM-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
Protein ID: PT00839, Poly [ADP-ribose] polymerase 1
Protein ID: PT02202, Poly [ADP-ribose] polymerase tankyrase-1
Protein ID: PT01425, Poly [ADP-ribose] polymerase tankyrase-2