General Information of the Compound
| Compound ID |
CP0527374
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(E)-7-(2,4-dioxopyrimidin-1-yl)-2-methylhept-5-en-2-yl]-3-methoxybenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25N3O5S
|
||||||||||||||||||
| Molecular Weight |
407.492
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)NC(C)(C)CC\C=C\Cn1ccc(=O)[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25N3O5S/c1-19(2,21-28(25,26)16-9-7-8-15(14-16)27-3)11-5-4-6-12-22-13-10-17(23)20-18(22)24/h4,6-10,13-14,21H,5,11-12H2,1-3H3,(H,20,23,24)/b6-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGRHTTVWRJSVSI-GQCTYLIASA-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