General Information of the Compound
| Compound ID |
CP0576573
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,2-dimethylpropyl)-3-[1-[(4-hydroxyphenyl)methyl]-2,3-dihydroindol-5-yl]thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27N3OS
|
||||||||||||||||||
| Molecular Weight |
369.534
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(O)cc3)CCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N3OS/c1-21(2,3)14-22-20(26)23-17-6-9-19-16(12-17)10-11-24(19)13-15-4-7-18(25)8-5-15/h4-9,12,25H,10-11,13-14H2,1-3H3,(H2,22,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DAMNZJYASCYSJJ-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