General Information of the Compound
| Compound ID |
CP0551076
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 279
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N3O3S
|
||||||||||||||||||
| Molecular Weight |
423.538
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCNC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N3O3S/c1-26(2)13-12-24-22(27)21-15-25-23(30-21)28-18-9-11-20-17(14-18)8-10-19(29-20)16-6-4-3-5-7-16/h3-7,9,11,14-15,19H,8,10,12-13H2,1-2H3,(H,24,27)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANTLEZNQXATWCC-IBGZPJMESA-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