General Information of the Compound
| Compound ID |
CP0481725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-(2-methoxy-5-pyridin-4-ylphenyl)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N4O2S
|
||||||||||||||||||
| Molecular Weight |
444.56
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1NC(=O)[C@H](Cc1ccccc1)NCc1cscn1)-c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N4O2S/c1-31-24-8-7-20(19-9-11-26-12-10-19)14-22(24)29-25(30)23(13-18-5-3-2-4-6-18)27-15-21-16-32-17-28-21/h2-12,14,16-17,23,27H,13,15H2,1H3,(H,29,30)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JPBHIEUPWCNYJD-QHCPKHFHSA-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