General Information of the Compound
| Compound ID |
CP0312648
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-butylphenyl)-3-[4-(4-methoxyanilino)phenyl]thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N3OS
|
||||||||||||||||||
| Molecular Weight |
405.567
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1ccc(NC(=S)Nc2ccc(Nc3ccc(OC)cc3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N3OS/c1-3-4-5-18-6-8-21(9-7-18)26-24(29)27-22-12-10-19(11-13-22)25-20-14-16-23(28-2)17-15-20/h6-17,25H,3-5H2,1-2H3,(H2,26,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKDPVMNHIIWOCD-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3