General Information of the Compound
| Compound ID |
CP0047893
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[3-(2-methylpyridin-4-yl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N4OS
|
||||||||||||||||||
| Molecular Weight |
428.561
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(ccn1)-c1cccc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N4OS/c1-18-12-21(10-11-26-18)20-8-5-9-22(14-20)29-25(30)24(13-19-6-3-2-4-7-19)27-15-23-16-31-17-28-23/h2-12,14,16-17,24,27H,13,15H2,1H3,(H,29,30)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DIRNQNKSESHJOH-DEOSSOPVSA-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