General Information of the Compound
| Compound ID |
CP0416589
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-(4-tert-butylphenyl)-2-[[3-fluoro-4-(methanesulfonamido)phenyl]methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H38FN3O4S2
|
||||||||||||||||||
| Molecular Weight |
551.75
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)C(=O)OCC(Cc1ccc(cc1)C(C)(C)C)NC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H38FN3O4S2/c1-26(2,3)20-11-8-18(9-12-20)14-21(17-35-24(32)27(4,5)6)30-25(36)29-16-19-10-13-23(22(28)15-19)31-37(7,33)34/h8-13,15,21,31H,14,16-17H2,1-7H3,(H2,29,30,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HLCHPCYCZHFVOA-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