General Information of the Compound
| Compound ID |
CP0477640
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-({[6-phenyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridin-2-yl]carbonyl}-amino)pentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H50N6O6
|
||||||||||||||||||
| Molecular Weight |
662.832
|
||||||||||||||||||
| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H50N6O6/c1-2-3-9-24-48-36(47)42-22-20-41(21-23-42)35(46)30(12-13-33(43)44)38-34(45)32-26-29(25-31(37-32)27-10-5-4-6-11-27)40-18-14-28(15-19-40)39-16-7-8-17-39/h4-6,10-11,25-26,28,30H,2-3,7-9,12-24H2,1H3,(H,38,45)(H,43,44)/t30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BGFYKMHCOQHUCD-PMERELPUSA-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