General Information of the Compound
| Compound ID |
CP0567674
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-4-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-4H-benzo[h]chromene-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H13F5N2OS
|
||||||||||||||||||
| Molecular Weight |
424.394
|
||||||||||||||||||
| Canonical SMILES |
NC1=C(C#N)C(c2ccc(cc2)S(F)(F)(F)(F)F)c2ccc3ccccc3c2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H13F5N2OS/c21-29(22,23,24,25)14-8-5-13(6-9-14)18-16-10-7-12-3-1-2-4-15(12)19(16)28-20(27)17(18)11-26/h1-10,18H,27H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CISUNEDRLUOYCJ-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