General Information of the Compound
| Compound ID |
CP0561198
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-cyclopropyl-3-[3-[[1-[5-methoxy-2-[2-methylpropyl(pyridin-2-yl)carbamoyl]phenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H43N3O5
|
||||||||||||||||||
| Molecular Weight |
585.745
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C(=O)N(CC(C)C)c2ccccn2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H43N3O5/c1-24(2)22-38(33-9-4-5-16-36-33)35(41)30-13-12-28(42-3)20-32(30)37-17-14-25(15-18-37)23-43-29-8-6-7-27(19-29)31(21-34(39)40)26-10-11-26/h4-9,12-13,16,19-20,24-26,31H,10-11,14-15,17-18,21-23H2,1-3H3,(H,39,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBWHUOPCNAPUTF-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