General Information of the Compound
| Compound ID |
CP0437239
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-O-[(4-methoxyphenyl)methyl] 4-O-methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H25NO7
|
||||||||||||||||||
| Molecular Weight |
367.398
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H25NO7/c1-18(2,3)26-17(22)19-14(10-15(20)24-5)16(21)25-11-12-6-8-13(23-4)9-7-12/h6-9,14H,10-11H2,1-5H3,(H,19,22)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MGQWXBZRKHHHKJ-AWEZNQCLSA-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