General Information of the Compound
| Compound ID |
CP0492797
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)5-{4-[(Octyloxy)carbonyl]piperazin-1-yl}-5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H40N4O6
|
||||||||||||||||||
| Molecular Weight |
552.672
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cccc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H40N4O6/c1-2-3-4-5-6-10-22-40-30(39)34-20-18-33(19-21-34)29(38)26(16-17-27(35)36)32-28(37)25-15-11-14-24(31-25)23-12-8-7-9-13-23/h7-9,11-15,26H,2-6,10,16-22H2,1H3,(H,32,37)(H,35,36)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OYFOHOVAGOABME-SANMLTNESA-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