General Information of the Compound
| Compound ID |
CP0478233
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[5-(6,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-2-oxo-4-sulfanylidenepyrimidin-1-yl]methyl]benzene-1,3-dicarboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H26N2O5S
|
||||||||||||||||||
| Molecular Weight |
526.614
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2C(c3ccc(C)cc3CCc2c1)c1cn(Cc2cc(cc(c2)C(O)=O)C(O)=O)c(=O)[nH]c1=S
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H26N2O5S/c1-16-3-7-23-19(9-16)5-6-20-10-17(2)4-8-24(20)26(23)25-15-32(30(37)31-27(25)38)14-18-11-21(28(33)34)13-22(12-18)29(35)36/h3-4,7-13,15,26H,5-6,14H2,1-2H3,(H,33,34)(H,35,36)(H,31,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBELIWNCMLAFDT-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