General Information of the Compound
| Compound ID |
CP0557836
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-methyl-5-(4-methylphenyl)-3-propanoylpyrrol-1-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Formula |
C21H22N2O3S
|
||||||||||||||||||
| Molecular Weight |
382.485
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)c1cc(-c2ccc(C)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N2O3S/c1-4-21(24)19-13-20(16-7-5-14(2)6-8-16)23(15(19)3)17-9-11-18(12-10-17)27(22,25)26/h5-13H,4H2,1-3H3,(H2,22,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WSUDEWXYBSTMRS-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 | |||||||||||||||||||
| 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