General Information of the Compound
| Compound ID |
CP0506293
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-4-[({4-[(2-methoxyethyl)amino]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N5O7
|
||||||||||||||||||
| Molecular Weight |
541.605
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCOC)cc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N5O7/c1-3-39-27(37)32-14-12-31(13-15-32)26(36)21(9-10-24(33)34)30-25(35)23-18-20(28-11-16-38-2)17-22(29-23)19-7-5-4-6-8-19/h4-8,17-18,21H,3,9-16H2,1-2H3,(H,28,29)(H,30,35)(H,33,34)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFCLENDOXCIWMS-NRFANRHFSA-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