General Information of the Compound
| Compound ID |
CP0514339
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)4-({[4-(Dimethylamino)6-phenylpyridin-2-yl]carbonyl}-amino)5-[4-(ethoxycarbonyl)piperazin-1-yl]-5-oxopentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33N5O6
|
||||||||||||||||||
| Molecular Weight |
511.579
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33N5O6/c1-4-37-26(36)31-14-12-30(13-15-31)25(35)20(10-11-23(32)33)28-24(34)22-17-19(29(2)3)16-21(27-22)18-8-6-5-7-9-18/h5-9,16-17,20H,4,10-15H2,1-3H3,(H,28,34)(H,32,33)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QMQOYIGBDXLICX-FQEVSTJZSA-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