General Information of the Compound
| Compound ID |
CP0528969
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| Compound Name |
5,6-difluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-3H-quinazolin-4-one
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| Structure |
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| Formula |
C17H14F2N2O2
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| Molecular Weight |
316.307
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| Canonical SMILES |
CC(C)(O)c1ccc(cc1)-c1nc2ccc(F)c(F)c2c(=O)[nH]1
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| InChI |
InChI=1S/C17H14F2N2O2/c1-17(2,23)10-5-3-9(4-6-10)15-20-12-8-7-11(18)14(19)13(12)16(22)21-15/h3-8,23H,1-2H3,(H,20,21,22)
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| InChIKey |
IZGNMSCICRBUAB-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