General Information of the Compound
| Compound ID |
CP0468974
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N6O
|
||||||||||||||||||
| Molecular Weight |
404.518
|
||||||||||||||||||
| Canonical SMILES |
Nn1c(CCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N6O/c24-29-22(26-20-8-4-2-6-18(20)23(29)30)11-12-27-13-15-28(16-14-27)21-10-9-17-5-1-3-7-19(17)25-21/h1,3,5,7,9-10H,2,4,6,8,11-16,24H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYQXSKXZFRFXOW-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A