General Information of the Compound
| Compound ID |
CP0476455
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{2-[4-(4-Bromo-1-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27BrN6O2
|
||||||||||||||||||
| Molecular Weight |
463.38
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)C(=O)c1nn(C)cc1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27BrN6O2/c1-14-15(19(28)27-7-4-3-5-17(27)22-14)6-8-25-9-11-26(12-10-25)20(29)18-16(21)13-24(2)23-18/h13H,3-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLCDMMMAPKLOJP-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