General Information of the Compound
| Compound ID |
CP0454737
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(2-dimethylamino-ethyl)-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H43ClN4O2
|
||||||||||||||||||
| Molecular Weight |
563.186
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCNC(=O)NCC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H43ClN4O2/c1-37(2)25-21-35-31(39)36-26-32(27-10-5-3-6-11-27,28-12-7-4-8-13-28)18-9-22-38-23-19-33(40,20-24-38)29-14-16-30(34)17-15-29/h3-8,10-17,40H,9,18-26H2,1-2H3,(H2,35,36,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKPAJUQFRVINHR-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