General Information of the Compound
| Compound ID |
CP0430973
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H18ClN5
|
||||||||||||||||||
| Molecular Weight |
291.786
|
||||||||||||||||||
| Canonical SMILES |
CNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H18ClN5/c1-16-13-11-9-10(15)3-4-12(11)17-14(18-13)20-7-5-19(2)6-8-20/h3-4,9H,5-8H2,1-2H3,(H,16,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GNITVWLUINGTBR-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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT01711, Histamine H4 receptor