General Information of the Compound
| Compound ID |
CP0445973
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24ClN5O3
|
||||||||||||||||||
| Molecular Weight |
453.93
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24ClN5O3/c1-32-19-7-6-15(24)14-18(19)28-11-8-27(9-12-28)10-13-29-22(30)21-20(26-23(29)31)16-4-2-3-5-17(16)25-21/h2-7,14,25H,8-13H2,1H3,(H,26,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DYXJVPXSKMEWAK-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor