General Information of the Compound
| Compound ID |
CP0464073
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-O-cycloheptyl 1-O-[(4-methoxyphenyl)methyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H35NO7
|
||||||||||||||||||
| Molecular Weight |
449.544
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(COC(=O)[C@H](CC(=O)OC2CCCCCC2)NC(=O)OC(C)(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H35NO7/c1-24(2,3)32-23(28)25-20(15-21(26)31-19-9-7-5-6-8-10-19)22(27)30-16-17-11-13-18(29-4)14-12-17/h11-14,19-20H,5-10,15-16H2,1-4H3,(H,25,28)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBDATYHWKDDKFH-FQEVSTJZSA-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