General Information of the Compound
| Compound ID |
CP0491180
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)5-[4-(3-Methylphenyl)piperazin-1-yl]-5-oxo-4-{[(4-phenylpyridin-2-yl)carbonyl]amino}pentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N4O4
|
||||||||||||||||||
| Molecular Weight |
486.572
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(c1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(ccn1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N4O4/c1-20-6-5-9-23(18-20)31-14-16-32(17-15-31)28(36)24(10-11-26(33)34)30-27(35)25-19-22(12-13-29-25)21-7-3-2-4-8-21/h2-9,12-13,18-19,24H,10-11,14-17H2,1H3,(H,30,35)(H,33,34)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CUVJRDQJQOQWHX-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