General Information of the Compound
| Compound ID |
CP0399275
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9969687, Compound 44
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20ClN3O5S
|
||||||||||||||||||
| Molecular Weight |
485.949
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccc[n+]([O-])c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20ClN3O5S/c1-23(2,3)14-6-8-16(9-7-14)33(31,32)25-18-11-10-17(24)19-20(18)22(29)27(21(19)28)15-5-4-12-26(30)13-15/h4-13,25H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJAZXZJKTNHUQR-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