General Information of the Compound
| Compound ID |
CP0469143
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-8-yl]-2-phenylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H33N5O3S
|
||||||||||||||||||
| Molecular Weight |
567.715
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H33N5O3S/c1-22-33-30-25-21-24(34-29(38)20-23-8-4-3-5-9-23)12-13-28(25)41-31(30)32(39)37(22)19-16-35-14-17-36(18-15-35)26-10-6-7-11-27(26)40-2/h3-13,21H,14-20H2,1-2H3,(H,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTNLKWJYWYHWJE-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