General Information of the Compound
| Compound ID |
CP0517824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9233953, 134
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N2O4S
|
||||||||||||||||||
| Molecular Weight |
428.554
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)N1CCN(C(C1)c1ccccc1)C(=O)C1CCS(=O)(=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N2O4S/c1-29-21-9-5-8-20(16-21)24-12-13-25(22(17-24)18-6-3-2-4-7-18)23(26)19-10-14-30(27,28)15-11-19/h2-9,16,19,22H,10-15,17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GNXLEIFABNNBPW-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