General Information of the Compound
| Compound ID |
CP0344678
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[4-(3-pyrazol-1-ylphenyl)oxan-4-yl]amino]butan-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30F2N4O3
|
||||||||||||||||||
| Molecular Weight |
484.547
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)-n1cccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30F2N4O3/c1-18(33)31-24(14-19-12-21(27)16-22(28)13-19)25(34)17-29-26(6-10-35-11-7-26)20-4-2-5-23(15-20)32-9-3-8-30-32/h2-5,8-9,12-13,15-16,24-25,29,34H,6-7,10-11,14,17H2,1H3,(H,31,33)/t24-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UDAQMKVSZXLZGC-LOSJGSFVSA-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