General Information of the Compound
| Compound ID |
CP0552892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-ethyl-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]thiophene-2-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18FN3O3S2
|
||||||||||||||||||
| Molecular Weight |
443.525
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(s1)S(=O)(=O)Nc1cc(ccc1F)-n1c(C)nc2ccccc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18FN3O3S2/c1-3-15-9-11-20(29-15)30(27,28)24-19-12-14(8-10-17(19)22)25-13(2)23-18-7-5-4-6-16(18)21(25)26/h4-12,24H,3H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UFQKEYUIACWHNI-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
Protein ID: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2