General Information of the Compound
| Compound ID |
CP0494326
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(6-(2-cyclopropylethoxy)-9-(2-hydroxy-2-methylpropyl)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H28N4O2
|
||||||||||||||||||
| Molecular Weight |
500.602
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(O)Cc1ccc2c3nc([nH]c3c3ccc(OCCC4CC4)cc3c2c1)-c1c(cccc1C#N)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H28N4O2/c1-32(2,37)16-20-8-10-24-26(14-20)27-15-23(38-13-12-19-6-7-19)9-11-25(27)30-29(24)35-31(36-30)28-21(17-33)4-3-5-22(28)18-34/h3-5,8-11,14-15,19,37H,6-7,12-13,16H2,1-2H3,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AGIXODHJAQQLTA-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