General Information of the Compound
| Compound ID |
CP0415299
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-(naphthalen-1-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26N2O2S
|
||||||||||||||||||
| Molecular Weight |
442.584
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccc(C)cc2)[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26N2O2S/c1-17(2)25-23(15-21-9-6-8-19-7-4-5-10-22(19)21)28-27(29-26(25)31)32-16-24(30)20-13-11-18(3)12-14-20/h4-14,17H,15-16H2,1-3H3,(H,28,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYZGHMJTLGFEIL-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