General Information of the Compound
| Compound ID |
CP0051608
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| Compound Name |
3-(8-methyl-4-oxo-3H-quinazolin-2-yl)propanoic acid
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| Structure |
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| Formula |
C12H12N2O3
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| Molecular Weight |
232.239
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| Canonical SMILES |
Cc1cccc2c1nc(CCC(O)=O)[nH]c2=O
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| InChI |
InChI=1S/C12H12N2O3/c1-7-3-2-4-8-11(7)13-9(14-12(8)17)5-6-10(15)16/h2-4H,5-6H2,1H3,(H,15,16)(H,13,14,17)
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| InChIKey |
OOIMOZIUYZYXLA-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: PT02202, Poly [ADP-ribose] polymerase tankyrase-1
Protein ID: PT01425, Poly [ADP-ribose] polymerase tankyrase-2