General Information of the Compound
| Compound ID |
CP0127015
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl]-2-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-4-phenylbutanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H47F2N3O4
|
||||||||||||||||||
| Molecular Weight |
599.763
|
||||||||||||||||||
| Canonical SMILES |
CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H](CC(C)C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H47F2N3O4/c1-4-14-43-28-20-29(37-21-28)32(40)30(18-24-16-26(35)19-27(36)17-24)38-33(41)31(11-10-23-8-6-5-7-9-23)39-13-12-25(34(39)42)15-22(2)3/h5-9,16-17,19,22,25,28-32,37,40H,4,10-15,18,20-21H2,1-3H3,(H,38,41)/t25-,28-,29-,30+,31+,32-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HXZAKSZKAREBFC-BGLHFFMUSA-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