General Information of the Compound
| Compound ID |
CP0538385
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[(4-fluorophenyl)methyl-[[4-(2-methylpropoxy)phenyl]methylcarbamoyl]amino]piperidin-1-yl]-4-oxobutanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36FN3O5
|
||||||||||||||||||
| Molecular Weight |
513.61
|
||||||||||||||||||
| Canonical SMILES |
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(CC2)C(=O)CCC(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36FN3O5/c1-20(2)19-37-25-9-5-21(6-10-25)17-30-28(36)32(18-22-3-7-23(29)8-4-22)24-13-15-31(16-14-24)26(33)11-12-27(34)35/h3-10,20,24H,11-19H2,1-2H3,(H,30,36)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QMSDKKZIDNNIGC-UHFFFAOYSA-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