General Information of the Compound
| Compound ID |
CP0502647
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-{[(6-phenyl-4-{[(piperidin-4-ylmethoxy)carbonyl]amino}pyridin-2-yl)carbonyl]amino}pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H54N6O8
|
||||||||||||||||||
| Molecular Weight |
722.884
|
||||||||||||||||||
| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)OCC2CCNCC2)cc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H54N6O8/c1-5-6-10-23-50-37(49)44-21-19-43(20-22-44)35(47)30(13-14-33(45)52-38(2,3)4)42-34(46)32-25-29(24-31(41-32)28-11-8-7-9-12-28)40-36(48)51-26-27-15-17-39-18-16-27/h7-9,11-12,24-25,27,30,39H,5-6,10,13-23,26H2,1-4H3,(H,42,46)(H,40,41,48)/t30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNKFTOXHTFDTMT-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