General Information of the Compound
| Compound ID |
CP0378366
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-(2-chloro-4-hydroxy-5-methoxybenzyl)thioureido)-4-(3,4-dimethylphenyl)butyl pivalate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
507.096
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CNC(=S)NC(CCc2ccc(C)c(C)c2)COC(=O)C(C)(C)C)c(Cl)cc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35ClN2O4S/c1-16-7-8-18(11-17(16)2)9-10-20(15-33-24(31)26(3,4)5)29-25(34)28-14-19-12-23(32-6)22(30)13-21(19)27/h7-8,11-13,20,30H,9-10,14-15H2,1-6H3,(H2,28,29,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJPOLESRAGTWGD-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