General Information of the Compound
| Compound ID |
CP0497072
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Fluoro-N-{[(+)-2-oxo-6-(1H-pyrazol-1-yl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H14F4N4O3
|
||||||||||||||||||
| Molecular Weight |
434.349
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)C(=O)NCC1(OC(=O)Nc2ccc(cc12)-n1cccn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14F4N4O3/c21-13-4-2-12(3-5-13)17(29)25-11-19(20(22,23)24)15-10-14(28-9-1-8-26-28)6-7-16(15)27-18(30)31-19/h1-10H,11H2,(H,25,29)(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICHVHNPEPHNIGJ-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