General Information of the Compound
| Compound ID |
CP0436574
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4,4-Dimethyl-2-thiophen-2-yl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-5-fluoro-benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17FN2OS
|
||||||||||||||||||
| Molecular Weight |
364.445
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)OC(Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17FN2OS/c1-21(2)17-11-14(15-8-13(12-23)9-16(22)10-15)5-6-18(17)24-20(25-21)19-4-3-7-26-19/h3-11,20,24H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JVSPQULNYQNSBE-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