General Information of the Compound
| Compound ID |
CP0429191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-4-{[(4-{[Ethyl(methyl)amino]carbonyl}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H41N5O7
|
||||||||||||||||||
| Molecular Weight |
595.697
|
||||||||||||||||||
| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)N(C)CC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H41N5O7/c1-4-6-10-19-43-31(42)36-17-15-35(16-18-36)30(41)24(13-14-27(37)38)33-28(39)26-21-23(29(40)34(3)5-2)20-25(32-26)22-11-8-7-9-12-22/h7-9,11-12,20-21,24H,4-6,10,13-19H2,1-3H3,(H,33,39)(H,37,38)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DDCNJJWPMKDEME-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