General Information of the Compound
| Compound ID |
CP0485405
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(3-morpholinopropoxy)phenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28ClN5O3
|
||||||||||||||||||
| Molecular Weight |
469.973
|
||||||||||||||||||
| Canonical SMILES |
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCCN1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28ClN5O3/c1-29-22(9-10-26-29)21-17-20(28-24(31)27-19-5-3-18(25)4-6-19)7-8-23(21)33-14-2-11-30-12-15-32-16-13-30/h3-10,17H,2,11-16H2,1H3,(H2,27,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJHYIBGGDIQNSZ-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C