General Information of the Compound
| Compound ID |
CP0244071
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9296741, 63
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21N3O4S
|
||||||||||||||||||
| Molecular Weight |
423.494
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OCc2ccccc2)c2cc[nH]c2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N3O4S/c1-25-13-19(17-10-11-23-21(17)22(25)26)18-12-16(24-30(2,27)28)8-9-20(18)29-14-15-6-4-3-5-7-15/h3-13,23-24H,14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZXUXOEACJYQVPI-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