General Information of the Compound
| Compound ID |
CP0567329
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| Compound Name |
6,8-difluoro-2-[4-(1-methylpiperidin-4-yl)phenyl]-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C22H20F5N3O3
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| Molecular Weight |
469.41
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| Canonical SMILES |
OC(=O)C(F)(F)F.CN1CCC(CC1)c1ccc(cc1)-c1nc2c(F)cc(F)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H19F2N3O.C2HF3O2/c1-25-8-6-13(7-9-25)12-2-4-14(5-3-12)19-23-18-16(20(26)24-19)10-15(21)11-17(18)22;3-2(4,5)1(6)7/h2-5,10-11,13H,6-9H2,1H3,(H,23,24,26);(H,6,7)
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| InChIKey |
UQXCYMNHCHPLAL-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