General Information of the Compound
| Compound ID |
CP0498719
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)4-{[(4-{4-[(Dimethylamino)ethyl]piperidin-1-yl}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]-piperazin-1-yl}pentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H50N6O6
|
||||||||||||||||||
| Molecular Weight |
650.821
|
||||||||||||||||||
| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN(C)C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H50N6O6/c1-4-5-9-22-47-35(46)41-20-18-40(19-21-41)34(45)29(12-13-32(42)43)37-33(44)31-24-28(23-30(36-31)27-10-7-6-8-11-27)39-16-14-26(15-17-39)25-38(2)3/h6-8,10-11,23-24,26,29H,4-5,9,12-22,25H2,1-3H3,(H,37,44)(H,42,43)/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZNFDYAMNUKXRBL-LJAQVGFWSA-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