General Information of the Compound
| Compound ID |
CP0148522
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-8-[(4-chlorophenyl)methyl]pyrido[2,3-d]pyridazin-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27ClN4O
|
||||||||||||||||||
| Molecular Weight |
410.949
|
||||||||||||||||||
| Canonical SMILES |
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27ClN4O/c1-2-3-13-27-14-5-6-19(27)16-28-23(29)20-7-4-12-25-22(20)21(26-28)15-17-8-10-18(24)11-9-17/h4,7-12,19H,2-3,5-6,13-16H2,1H3/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FNEORDYLRZOEEP-LJQANCHMSA-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: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor