General Information of the Compound
| Compound ID |
CP0458124
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6,8-difluoro-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18ClF2N3O
|
||||||||||||||||||
| Molecular Weight |
377.822
|
||||||||||||||||||
| Canonical SMILES |
Cl.Fc1cc(F)c2nc([nH]c(=O)c2c1)-c1ccc(cc1)C1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17F2N3O.ClH/c20-14-9-15-17(16(21)10-14)23-18(24-19(15)25)13-3-1-11(2-4-13)12-5-7-22-8-6-12;/h1-4,9-10,12,22H,5-8H2,(H,23,24,25);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
UXVNTGRHJGGDFZ-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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