General Information of the Compound
| Compound ID |
CP0563071
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-[[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]-4-methoxybutanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H47N3O6
|
||||||||||||||||||
| Molecular Weight |
617.787
|
||||||||||||||||||
| Canonical SMILES |
COCC(CC(O)=O)c1cccc(OCC2CCN(CC2)c2cc(OC)ccc2C(=O)N(CC(C)(C)C)c2cccc(C)n2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H47N3O6/c1-25-9-7-12-33(37-25)39(24-36(2,3)4)35(42)31-14-13-29(44-6)21-32(31)38-17-15-26(16-18-38)22-45-30-11-8-10-27(19-30)28(23-43-5)20-34(40)41/h7-14,19,21,26,28H,15-18,20,22-24H2,1-6H3,(H,40,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NHVYNKLBOMNHTO-UHFFFAOYSA-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