General Information of the Compound
| Compound ID |
CP0433181
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N3O
|
||||||||||||||||||
| Molecular Weight |
373.5
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(Cc2ccccc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N3O/c1-19-6-5-16-26(19)17-15-20-9-11-22(12-10-20)23-13-14-24(28)27(25-23)18-21-7-3-2-4-8-21/h2-4,7-14,19H,5-6,15-18H2,1H3/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCXHNBVFVBHGSG-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor