General Information of the Compound
| Compound ID |
CP0422607
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(4-tert-butylphenyl)methyl]-3-[6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31N3O2S2
|
||||||||||||||||||
| Molecular Weight |
445.654
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(CNC(=S)NC2CCCc3cc(NS(C)(=O)=O)ccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31N3O2S2/c1-23(2,3)18-10-8-16(9-11-18)15-24-22(29)25-21-7-5-6-17-14-19(12-13-20(17)21)26-30(4,27)28/h8-14,21,26H,5-7,15H2,1-4H3,(H2,24,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCENFABVIZISMS-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