General Information of the Compound
| Compound ID |
CP0522024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-4-{[(4-{[1-(2-methoxyethyl)piperidin-4-yl]oxy}-6-phenylpyridin-2-yl)carbonyl]-amino}-5-oxopentanoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H47N5O8
|
||||||||||||||||||
| Molecular Weight |
653.777
|
||||||||||||||||||
| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCN(CCOC)CC2)cc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H47N5O8/c1-3-4-21-46-34(44)39-18-16-38(17-19-39)33(43)28(10-11-31(40)41)36-32(42)30-24-27(23-29(35-30)25-8-6-5-7-9-25)47-26-12-14-37(15-13-26)20-22-45-2/h5-9,23-24,26,28H,3-4,10-22H2,1-2H3,(H,36,42)(H,40,41)/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GXDLGDXARBRYGK-NDEPHWFRSA-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