General Information of the Compound
| Compound ID |
CP0493380
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Amino-2-[4-[4-(6-hydroxyquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32N6O2
|
||||||||||||||||||
| Molecular Weight |
448.571
|
||||||||||||||||||
| Canonical SMILES |
Nn1c(CCCCN2CCN(CC2)c2ccc3cc(O)ccc3n2)nc2CCCCc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N6O2/c26-31-24(28-22-6-2-1-5-20(22)25(31)33)7-3-4-12-29-13-15-30(16-14-29)23-11-8-18-17-19(32)9-10-21(18)27-23/h8-11,17,32H,1-7,12-16,26H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCJPMOOSRAYGGE-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