General Information of the Compound
| Compound ID |
CP0578622
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,2-dimethylpropyl)-3-[1-[2-(4-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26FN3OS
|
||||||||||||||||||
| Molecular Weight |
399.535
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)CNC(=S)Nc1ccc2N(CCc2c1)C(=O)Cc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26FN3OS/c1-22(2,3)14-24-21(28)25-18-8-9-19-16(13-18)10-11-26(19)20(27)12-15-4-6-17(23)7-5-15/h4-9,13H,10-12,14H2,1-3H3,(H2,24,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VWTATHSAISDYLE-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