General Information of the Compound
| Compound ID |
CP0137086
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-1-(4-tert-butylphenyl)-3-[[3-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-4-oxoazetidine-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H36N2O6
|
||||||||||||||||||
| Molecular Weight |
568.67
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H36N2O6/c1-21-29(35-31(42-21)23-9-15-26(40-5)16-10-23)17-18-41-27-8-6-7-22(19-27)20-28-30(33(38)39)36(32(28)37)25-13-11-24(12-14-25)34(2,3)4/h6-16,19,28,30H,17-18,20H2,1-5H3,(H,38,39)/t28-,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GLSSNBLKKWINSD-JDXGNMNLSA-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