General Information of the Compound
| Compound ID |
CP0520430
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-4-({[4-(5-Hydroxypentyl)-6-phenylpyridin-2-yl]carbonyl}-amino)-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H44N4O7
|
||||||||||||||||||
| Molecular Weight |
596.725
|
||||||||||||||||||
| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCCCCO)cc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H44N4O7/c1-2-3-10-21-43-32(42)36-18-16-35(17-19-36)31(41)26(14-15-29(38)39)34-30(40)28-23-24(11-6-5-9-20-37)22-27(33-28)25-12-7-4-8-13-25/h4,7-8,12-13,22-23,26,37H,2-3,5-6,9-11,14-21H2,1H3,(H,34,40)(H,38,39)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WUEHFDWSPAATLT-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