General Information of the Compound
| Compound ID |
CP0567678
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-4-(3,4,5-trifluorophenyl)-4H-benzo[h]chromene-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H11F3N2O
|
||||||||||||||||||
| Molecular Weight |
352.315
|
||||||||||||||||||
| Canonical SMILES |
NC1=C(C#N)C(c2cc(F)c(F)c(F)c2)c2ccc3ccccc3c2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H11F3N2O/c21-15-7-11(8-16(22)18(15)23)17-13-6-5-10-3-1-2-4-12(10)19(13)26-20(25)14(17)9-24/h1-8,17H,25H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MLMITPOQSHPPMM-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 | |||||||||||||||||||
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