General Information of the Compound
| Compound ID |
CP0271769
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5,6,7,8-tetrahydrophthalazin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31N3O2
|
||||||||||||||||||
| Molecular Weight |
381.52
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nn(C)c(=O)c2CCCCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31N3O2/c1-17-7-5-14-26(17)15-6-16-28-19-12-10-18(11-13-19)22-20-8-3-4-9-21(20)23(27)25(2)24-22/h10-13,17H,3-9,14-16H2,1-2H3/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YVEZLENKSRCDCK-QGZVFWFLSA-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