General Information of the Compound
| Compound ID |
CP0533784
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| Compound Name |
6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride
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| Structure |
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| Formula |
C20H21ClFN3O
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| Molecular Weight |
373.859
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| Canonical SMILES |
Cl.Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C1CCNCC1
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| InChI |
InChI=1S/C20H20FN3O.ClH/c1-12-10-16(21)11-17-18(12)23-19(24-20(17)25)15-4-2-13(3-5-15)14-6-8-22-9-7-14;/h2-5,10-11,14,22H,6-9H2,1H3,(H,23,24,25);1H
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| InChIKey |
RYCYAEKBALFRQX-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2