General Information of the Compound
| Compound ID |
CP0448851
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-Benzyl-piperidin-4-yl)-3-{5-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H49ClN4O2
|
||||||||||||||||||
| Molecular Weight |
665.322
|
||||||||||||||||||
| Canonical SMILES |
OC1(CCN(CCCC(CNC(=O)NC2CCN(Cc3ccccc3)CC2)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H49ClN4O2/c42-37-19-17-36(18-20-37)41(48)24-29-45(30-25-41)26-10-23-40(34-13-6-2-7-14-34,35-15-8-3-9-16-35)32-43-39(47)44-38-21-27-46(28-22-38)31-33-11-4-1-5-12-33/h1-9,11-20,38,48H,10,21-32H2,(H2,43,44,47)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LLJUTRQUTPARKU-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