General Information of the Compound
| Compound ID |
CP0433965
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(4-tert-butylphenyl)methyl]-1-[1-(4-methanesulfonamido-3-methoxyphenyl)ethyl]thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H31N3O3S2
|
||||||||||||||||||
| Molecular Weight |
449.642
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1NS(C)(=O)=O)C(C)NC(=S)NCc1ccc(cc1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31N3O3S2/c1-15(17-9-12-19(20(13-17)28-5)25-30(6,26)27)24-21(29)23-14-16-7-10-18(11-8-16)22(2,3)4/h7-13,15,25H,14H2,1-6H3,(H2,23,24,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SEOINLCVVSFYDO-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