General Information of the Compound
| Compound ID |
CP0438116
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-fluorophenyl)imino-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
Show/Hide
|
||||||||||||||||||
| Formula |
C21H26FN5O2
|
||||||||||||||||||
| Molecular Weight |
399.47
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)\N=N\c2ccc(F)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26FN5O2/c1-29-20-6-3-2-5-19(20)27-15-13-26(14-16-27)12-4-11-23-21(28)25-24-18-9-7-17(22)8-10-18/h2-3,5-10H,4,11-16H2,1H3,(H,23,28)/b25-24+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQKDABBJXATHLA-OCOZRVBESA-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 | |||||||||||||||||||
| 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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor