General Information of the Compound
| Compound ID |
CP0505316
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(3-(trifluoromethyl)benzyl)-4-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)-4-(4-(pyrrolidin-1-yl)piperazin-1-yl)butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H43F3N6O5
|
||||||||||||||||||
| Molecular Weight |
744.815
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(CNC(=O)[C@H](CC(=O)N2CCN(CC2)N2CCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H43F3N6O5/c41-40(42,43)31-15-9-12-29(24-31)26-44-37(51)33(25-35(50)45-20-22-47(23-21-45)46-18-7-8-19-46)48-32(17-16-28-10-3-1-4-11-28)36(38(48)52)49-34(27-54-39(49)53)30-13-5-2-6-14-30/h1-6,9-17,24,32-34,36H,7-8,18-23,25-27H2,(H,44,51)/b17-16+/t32-,33+,34-,36+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGFCKFAAIUYBFY-JDJNTPLHSA-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