General Information of the Compound
| Compound ID |
CP0247839
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Methyl-7-[(4-phenylpiperazin-1-yl)methyl]-2-pyrrolidin-1-yl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N6O
|
||||||||||||||||||
| Molecular Weight |
392.507
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(nc2c(CN3CCN(CC3)c3ccccc3)c[nH]c2c1=O)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N6O/c1-25-21(29)20-19(24-22(25)28-9-5-6-10-28)17(15-23-20)16-26-11-13-27(14-12-26)18-7-3-2-4-8-18/h2-4,7-8,15,23H,5-6,9-14,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KTYLNGVSKMMZGB-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