General Information of the Compound
| Compound ID |
CP0483680
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9000044, 33
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22ClNO4S
|
||||||||||||||||||
| Molecular Weight |
443.952
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22ClNO4S/c1-15-18(13-22(26)27)12-17-4-7-19(24)14-21(17)23(15)16-5-8-20(9-6-16)30(28,29)25-10-2-3-11-25/h4-9,12,14H,2-3,10-11,13H2,1H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PQLNRVQDMVECQP-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