General Information of the Compound
| Compound ID |
CP0388392
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(9-(2-hydroxy-2-methylpropyl)-6-(4,4,4-trifluorobutoxy)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H25F3N4O2
|
||||||||||||||||||
| Molecular Weight |
542.561
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(O)Cc1ccc2c3nc([nH]c3c3ccc(OCCCC(F)(F)F)cc3c2c1)-c1c(cccc1C#N)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H25F3N4O2/c1-30(2,39)15-18-7-9-22-24(13-18)25-14-21(40-12-4-11-31(32,33)34)8-10-23(25)28-27(22)37-29(38-28)26-19(16-35)5-3-6-20(26)17-36/h3,5-10,13-14,39H,4,11-12,15H2,1-2H3,(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGFOTZYMNNEYTA-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