General Information of the Compound
| Compound ID |
CP0036643
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4,4-Dimethyl-2-thioxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-thiophene-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H12N2OS2
|
||||||||||||||||||
| Molecular Weight |
300.408
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)OC(=S)Nc2ccc(cc12)-c1csc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H12N2OS2/c1-15(2)12-6-9(10-5-11(7-16)20-8-10)3-4-13(12)17-14(19)18-15/h3-6,8H,1-2H3,(H,17,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCEMKOZZXFXATD-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