General Information of the Compound
| Compound ID |
CP0293736
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-hydroxypyrrolidin-2-yl]propan-2-yl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H35F2N3O4
|
||||||||||||||||||
| Molecular Weight |
467.557
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H35F2N3O4/c1-3-4-5-16-6-7-29(24(16)33)14(2)23(32)28-21(22(31)20-12-19(30)13-27-20)10-15-8-17(25)11-18(26)9-15/h8-9,11,14,16,19-22,27,30-31H,3-7,10,12-13H2,1-2H3,(H,28,32)/t14-,16-,19-,20+,21-,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SREKHYYKSXMTLV-ZQKSUZJASA-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