General Information of the Compound
| Compound ID |
CP0453736
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethylsulfanylcarbonyl)-6-ethyl-2-phenyl-4-propyl-nicotinic acid propyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35NO5S
|
||||||||||||||||||
| Molecular Weight |
485.646
|
||||||||||||||||||
| Canonical SMILES |
CCCOC(=O)c1c(CCC)c(C(=O)SCC2COC(C)(C)O2)c(CC)nc1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35NO5S/c1-6-12-20-22(26(30)34-17-19-16-32-27(4,5)33-19)21(8-3)28-24(18-13-10-9-11-14-18)23(20)25(29)31-15-7-2/h9-11,13-14,19H,6-8,12,15-17H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SEHBJXVCUPJQQS-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