General Information of the Compound
| Compound ID |
CP0573907
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-(4-aminobutyl)-2,3-dihydroindol-5-yl]-3-(2,2-dimethylpropyl)thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H30N4S
|
||||||||||||||||||
| Molecular Weight |
334.533
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)CNC(=S)Nc1ccc2N(CCCCN)CCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H30N4S/c1-18(2,3)13-20-17(23)21-15-6-7-16-14(12-15)8-11-22(16)10-5-4-9-19/h6-7,12H,4-5,8-11,13,19H2,1-3H3,(H2,20,21,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VKEQTJPLMSOYKG-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