General Information of the Compound
| Compound ID |
CP0443932
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 6-[4-(pyridin-2-ylmethylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32N2O5S
|
||||||||||||||||||
| Molecular Weight |
520.651
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N2O5S/c1-2-35-28(32)31-17-14-29(15-18-31)13-12-25-19-24(10-11-27(25)36-29)23-8-6-22(7-9-23)20-37(33,34)21-26-5-3-4-16-30-26/h3-11,16,19H,2,12-15,17-18,20-21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTUIUCDWGQTDJU-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