General Information of the Compound
| Compound ID |
CP0461057
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{2-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-ethyl]-phenyl}-3-(3-methoxy-phenyl)-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33N3O3
|
||||||||||||||||||
| Molecular Weight |
459.59
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(NC(=O)Nc2ccccc2C(O)CN2CCC(Cc3ccccc3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33N3O3/c1-34-24-11-7-10-23(19-24)29-28(33)30-26-13-6-5-12-25(26)27(32)20-31-16-14-22(15-17-31)18-21-8-3-2-4-9-21/h2-13,19,22,27,32H,14-18,20H2,1H3,(H2,29,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXKUWXKCLMVULX-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
Protein ID: PT01070, C-C chemokine receptor type 1
Protein ID: PT01215, C-C chemokine receptor type 3