General Information of the Compound
| Compound ID |
CP0477090
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[N-[(4-cyanophenyl)methyl]-4-fluoroanilino]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33FN6O2
|
||||||||||||||||||
| Molecular Weight |
516.621
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(cc2)C#N)c2ccc(F)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33FN6O2/c1-38-28-6-3-2-5-27(28)35-19-17-34(18-20-35)16-4-15-32-29(37)33-36(26-13-11-25(30)12-14-26)22-24-9-7-23(21-31)8-10-24/h2-3,5-14H,4,15-20,22H2,1H3,(H2,32,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VMHDSBUIYYCTCD-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor