General Information of the Compound
| Compound ID |
CP0388589
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-(dimethylcarbamoyl)phenoxy]-5-(4-fluorophenoxy)phenyl]-4-(2-ethylbutyl)-4-hydroxypiperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H40FN3O5
|
||||||||||||||||||
| Molecular Weight |
577.697
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(=O)N(C)C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H40FN3O5/c1-5-23(6-2)22-33(40)15-17-37(18-16-33)32(39)35-26-19-29(21-30(20-26)42-28-13-9-25(34)10-14-28)41-27-11-7-24(8-12-27)31(38)36(3)4/h7-14,19-21,23,40H,5-6,15-18,22H2,1-4H3,(H,35,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZUXWVQLEWURXBU-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: PT03925, Lysophosphatidic acid receptor 1
Protein ID: PT04536, Lysophosphatidic acid receptor 2
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3