General Information of the Compound
| Compound ID |
CP0494691
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-5-oxo-4-(6-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H51N7O7
|
||||||||||||||||||
| Molecular Weight |
705.857
|
||||||||||||||||||
| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC(=O)N2CCCC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H51N7O7/c1-2-3-9-24-51-37(50)44-22-20-43(21-23-44)36(49)29(12-13-33(46)47)39-35(48)30-26-31(40-34(38-30)28-10-5-4-6-11-28)41-18-14-27(15-19-41)25-32(45)42-16-7-8-17-42/h4-6,10-11,26-27,29H,2-3,7-9,12-25H2,1H3,(H,39,48)(H,46,47)/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VRVNIRQVXWYZBB-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