General Information of the Compound
| Compound ID |
CP0535908
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9067871, 8
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28Cl2N2O3S
|
||||||||||||||||||
| Molecular Weight |
471.45
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)NCCOc1ccc2CCC(N)C(Cc3ccc(Cl)c(Cl)c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28Cl2N2O3S/c1-2-11-30(27,28)26-9-10-29-17-6-4-16-5-8-22(25)19(18(16)14-17)12-15-3-7-20(23)21(24)13-15/h3-4,6-7,13-14,19,22,26H,2,5,8-12,25H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUECEVFEHFYWQB-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