General Information of the Compound
| Compound ID |
CP0093548
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-2-[(3R)-3-(methoxymethyl)-2-oxopyrrolidin-1-yl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35F2N3O5
|
||||||||||||||||||
| Molecular Weight |
519.589
|
||||||||||||||||||
| Canonical SMILES |
COC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35F2N3O5/c1-17(32-8-7-20(16-36-2)27(32)35)26(34)31-24(12-19-9-21(28)13-22(29)10-19)25(33)15-30-14-18-5-4-6-23(11-18)37-3/h4-6,9-11,13,17,20,24-25,30,33H,7-8,12,14-16H2,1-3H3,(H,31,34)/t17-,20+,24-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AAAGFCUDAXPDAA-CIQZPUONSA-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