General Information of the Compound
| Compound ID |
CP0456624
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-pyridin-2-yloxypyrrolidin-2-yl]propan-2-yl]-2-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-4-phenylbutanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H44F2N4O4
|
||||||||||||||||||
| Molecular Weight |
634.768
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H44F2N4O4/c1-23(2)16-26-13-15-42(36(26)45)32(12-11-24-8-4-3-5-9-24)35(44)41-31(19-25-17-27(37)20-28(38)18-25)34(43)30-21-29(22-40-30)46-33-10-6-7-14-39-33/h3-10,14,17-18,20,23,26,29-32,34,40,43H,11-13,15-16,19,21-22H2,1-2H3,(H,41,44)/t26-,29-,30-,31+,32+,34-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUDKRDYEFWKYOR-YLBSFMFUSA-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