General Information of the Compound
| Compound ID |
CP0477641
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-5-oxo-4-({[6-phenyl-4-(tetrahydro-2H-pyran-4-ylmethoxy)yridin-2-yl]carbonyl}-amino)entanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H42N4O8
|
||||||||||||||||||
| Molecular Weight |
610.708
|
||||||||||||||||||
| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCOCC2)cc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H42N4O8/c1-2-3-17-43-32(41)36-15-13-35(14-16-36)31(40)26(9-10-29(37)38)34-30(39)28-21-25(44-22-23-11-18-42-19-12-23)20-27(33-28)24-7-5-4-6-8-24/h4-8,20-21,23,26H,2-3,9-19,22H2,1H3,(H,34,39)(H,37,38)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QMNYFMFGUGKYDE-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