General Information of the Compound
| Compound ID |
CP0527155
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-4-{[(4-{[(2-Methoxyethyl)amino]carbonyl}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H41N5O8
|
||||||||||||||||||
| Molecular Weight |
611.696
|
||||||||||||||||||
| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)NCCOC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H41N5O8/c1-3-4-8-18-44-31(42)36-16-14-35(15-17-36)30(41)24(11-12-27(37)38)34-29(40)26-21-23(28(39)32-13-19-43-2)20-25(33-26)22-9-6-5-7-10-22/h5-7,9-10,20-21,24H,3-4,8,11-19H2,1-2H3,(H,32,39)(H,34,40)(H,37,38)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLSXCWFPQDFOIO-DEOSSOPVSA-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