General Information of the Compound
| Compound ID |
CP0071002
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(1-thiophen-2-ylcyclohexyl)amino]butan-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28F2N2O2S
|
||||||||||||||||||
| Molecular Weight |
422.541
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28F2N2O2S/c1-15(27)26-19(12-16-10-17(23)13-18(24)11-16)20(28)14-25-22(7-3-2-4-8-22)21-6-5-9-29-21/h5-6,9-11,13,19-20,25,28H,2-4,7-8,12,14H2,1H3,(H,26,27)/t19-,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ABTRYYRXKMVKDI-VQTJNVASSA-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