General Information of the Compound
| Compound ID |
CP0445645
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-1-hydroxythiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26FN3O3S2
|
||||||||||||||||||
| Molecular Weight |
439.578
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26FN3O3S2/c1-20(2,3)16-8-5-14(6-9-16)13-24(25)19(28)22-12-15-7-10-18(17(21)11-15)23-29(4,26)27/h5-11,23,25H,12-13H2,1-4H3,(H,22,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GWGPRDUXRUCJSV-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