General Information of the Compound
| Compound ID |
CP0574562
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[5-[3-(4-methylphenyl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19NO4S3
|
||||||||||||||||||
| Molecular Weight |
421.565
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19NO4S3/c1-13-3-5-14(6-4-13)17-11-16(8-9-18(17)26(2,21)22)27(23,24)19-10-7-15(12-20)25-19/h3-11H,12,20H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXZVBBLROONNEG-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