General Information of the Compound
| Compound ID |
CP0464666
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-tert-butylanilino)-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H26N4O2S2
|
||||||||||||||||||
| Molecular Weight |
406.577
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(NNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H26N4O2S2/c1-19(2,3)15-7-11-16(12-8-15)21-22-18(26)20-13-14-5-9-17(10-6-14)23-27(4,24)25/h5-12,21,23H,13H2,1-4H3,(H2,20,22,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMKQMFMNAUKYAY-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