General Information of the Compound
| Compound ID |
CP0448993
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1'-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29N3O4S
|
||||||||||||||||||
| Molecular Weight |
467.591
|
||||||||||||||||||
| Canonical SMILES |
Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N3O4S/c1-17-19(20-5-3-4-6-22(20)26-17)9-12-28-13-10-25(11-14-28)16-23(29)21-8-7-18(15-24(21)32-25)27-33(2,30)31/h3-8,15,26-27H,9-14,16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MRBDOYSYHLKZAG-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