General Information of the Compound
| Compound ID |
CP0415986
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(naphthalen-1-ylmethyl)-2-(2-oxopropylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N2O2S
|
||||||||||||||||||
| Molecular Weight |
366.486
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(C)=O)[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N2O2S/c1-13(2)19-18(22-21(23-20(19)25)26-12-14(3)24)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,13H,11-12H2,1-3H3,(H,22,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FJMNHTAYPHBUBC-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