General Information of the Compound
| Compound ID |
CP0479278
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(cyclohexylmethyl)-10-methyl-3-(4-methylphenyl)pyrimido[4,5-b]quinoline-4,5-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27N3O2
|
||||||||||||||||||
| Molecular Weight |
413.521
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)-n1c(CC2CCCCC2)nc2n(C)c3ccccc3c(=O)c2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27N3O2/c1-17-12-14-19(15-13-17)29-22(16-18-8-4-3-5-9-18)27-25-23(26(29)31)24(30)20-10-6-7-11-21(20)28(25)2/h6-7,10-15,18H,3-5,8-9,16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LSQLGWAUFNCJKV-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor