General Information of the Compound
| Compound ID |
CP0397503
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1'-(2-naphthalen-1-ylethyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-1-phenylmethanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H32N2O4S
|
||||||||||||||||||
| Molecular Weight |
540.685
|
||||||||||||||||||
| Canonical SMILES |
O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H32N2O4S/c35-30-22-32(16-19-34(20-17-32)18-15-26-11-6-10-25-9-4-5-12-28(25)26)38-31-14-13-27(21-29(30)31)33-39(36,37)23-24-7-2-1-3-8-24/h1-14,21,33H,15-20,22-23H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MLGILCIYEMBRNJ-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