General Information of the Compound
| Compound ID |
CP0344676
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(oxolan-3-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30F2N2O3
|
||||||||||||||||||
| Molecular Weight |
444.522
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1CCOC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30F2N2O3/c1-16(30)29-23(11-17-9-21(26)13-22(27)10-17)24(31)14-28-25(6-7-25)20-4-2-3-18(12-20)19-5-8-32-15-19/h2-4,9-10,12-13,19,23-24,28,31H,5-8,11,14-15H2,1H3,(H,29,30)/t19?,23-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IROUFPLAOXNCIN-ZJWHSJSFSA-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