General Information of the Compound
| Compound ID |
CP0373925
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(9-(2-hydroxy-2-methylpropyl)-6-isobutoxy-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28N4O2
|
||||||||||||||||||
| Molecular Weight |
488.591
|
||||||||||||||||||
| Canonical SMILES |
CC(C)COc1ccc2c3[nH]c(nc3c3ccc(CC(C)(C)O)cc3c2c1)-c1c(cccc1C#N)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28N4O2/c1-18(2)17-37-22-9-11-24-26(13-22)25-12-19(14-31(3,4)36)8-10-23(25)28-29(24)35-30(34-28)27-20(15-32)6-5-7-21(27)16-33/h5-13,18,36H,14,17H2,1-4H3,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VGJUAMQHMGNVNK-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