General Information of the Compound
| Compound ID |
CP0957938
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-(4-(methylthio)phenyl)-3-(1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N3O2S
|
||||||||||||||||||
| Molecular Weight |
397.544
|
||||||||||||||||||
| Canonical SMILES |
CSc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N3O2S/c1-28-19-12-10-18(11-13-19)23-22(27)24-20(16-17-8-4-2-5-9-17)21(26)25-14-6-3-7-15-25/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3,(H2,23,24,27)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JFYHULNQNQPNJG-FQEVSTJZSA-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