General Information of the Compound
| Compound ID |
CP0550942
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| Compound Name |
6-fluoro-2-[4-[2-(2-hydroxyethoxy)propan-2-yl]phenyl]-8-methyl-3H-quinazolin-4-one
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| Structure |
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| Formula |
C20H21FN2O3
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| Molecular Weight |
356.397
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| Canonical SMILES |
Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)OCCO
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| InChI |
InChI=1S/C20H21FN2O3/c1-12-10-15(21)11-16-17(12)22-18(23-19(16)25)13-4-6-14(7-5-13)20(2,3)26-9-8-24/h4-7,10-11,24H,8-9H2,1-3H3,(H,22,23,25)
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| InChIKey |
IFGZJOCKQVPMQP-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