General Information of the Compound
| Compound ID |
CP0146364
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[1-[1-(2,2-dimethylpropyl)pyrazol-4-yl]cyclohexyl]amino]-3-hydroxybutan-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H38F2N4O2
|
||||||||||||||||||
| Molecular Weight |
476.612
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cnn(CC(C)(C)C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H38F2N4O2/c1-18(33)31-23(12-19-10-21(27)13-22(28)11-19)24(34)15-29-26(8-6-5-7-9-26)20-14-30-32(16-20)17-25(2,3)4/h10-11,13-14,16,23-24,29,34H,5-9,12,15,17H2,1-4H3,(H,31,33)/t23-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SCTUBQYFUYWOPR-BJKOFHAPSA-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