General Information of the Compound
| Compound ID |
CP0535035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-[[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]phenoxy]methyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28N2O4
|
||||||||||||||||||
| Molecular Weight |
444.531
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCCN3Cc3ccccc3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28N2O4/c30-26(25-7-4-16-29(25)18-21-5-2-1-3-6-21)28-17-20-10-14-24(15-11-20)33-19-22-8-12-23(13-9-22)27(31)32/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,28,30)(H,31,32)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQXVSMVTZYJJDH-VWLOTQADSA-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