General Information of the Compound
| Compound ID |
CP0421652
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)4-{[(4-Butoxy-6-phenylpyridin-2-yl)carbonyl]amino}-5-{4-[(hexyloxy)carbonyl]piperazin-1-yl}-5-oxopentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H44N4O7
|
||||||||||||||||||
| Molecular Weight |
596.725
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCCC)cc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H44N4O7/c1-3-5-7-11-21-43-32(41)36-18-16-35(17-19-36)31(40)26(14-15-29(37)38)34-30(39)28-23-25(42-20-6-4-2)22-27(33-28)24-12-9-8-10-13-24/h8-10,12-13,22-23,26H,3-7,11,14-21H2,1-2H3,(H,34,39)(H,37,38)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HRVRKPFPRCYOJT-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