General Information of the Compound
| Compound ID |
CP0575686
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 289
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23N3O3S
|
||||||||||||||||||
| Molecular Weight |
409.511
|
||||||||||||||||||
| Canonical SMILES |
NCCCNC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23N3O3S/c23-11-4-12-24-21(26)20-14-25-22(29-20)27-17-8-10-19-16(13-17)7-9-18(28-19)15-5-2-1-3-6-15/h1-3,5-6,8,10,13-14,18H,4,7,9,11-12,23H2,(H,24,26)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPUIIVHFTCBYDO-SFHVURJKSA-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