General Information of the Compound
| Compound ID |
CP0521978
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Amino-2-[4-[4-(3,4-dimethylquinolin-2-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H36N6O
|
||||||||||||||||||
| Molecular Weight |
460.626
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C)c2ccccc2nc1N1CCN(CCCCc2nc3CCCCc3c(=O)n2N)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H36N6O/c1-19-20(2)26(30-23-11-5-3-9-21(19)23)32-17-15-31(16-18-32)14-8-7-13-25-29-24-12-6-4-10-22(24)27(34)33(25)28/h3,5,9,11H,4,6-8,10,12-18,28H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZRMKLDGEAIPBEE-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