General Information of the Compound
| Compound ID |
CP0514338
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)5-{4-[(Cyclohexyloxy)carbonyl]piperazin-1-yl}-5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34N4O6
|
||||||||||||||||||
| Molecular Weight |
522.602
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)c1cccc(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N4O6/c33-25(34)15-14-24(30-26(35)23-13-7-12-22(29-23)20-8-3-1-4-9-20)27(36)31-16-18-32(19-17-31)28(37)38-21-10-5-2-6-11-21/h1,3-4,7-9,12-13,21,24H,2,5-6,10-11,14-19H2,(H,30,35)(H,33,34)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZSMDUIAZQCUKBJ-DEOSSOPVSA-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