General Information of the Compound
| Compound ID |
CP0531384
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzyl-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N5
|
||||||||||||||||||
| Molecular Weight |
385.515
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1nc(NCc2ccccc2)c2CCc3ccccc3-c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N5/c1-28-13-15-29(16-14-28)24-26-22-20-10-6-5-9-19(20)11-12-21(22)23(27-24)25-17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PAICRLKZKAWHPK-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: PT01206, Histamine H1 receptor
Protein ID: PT01711, Histamine H4 receptor