General Information of the Compound
| Compound ID |
CP0509592
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(S)-(4-chlorophenyl)methylsulfinyl]-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22ClN3O4S2
|
||||||||||||||||||
| Molecular Weight |
540.066
|
||||||||||||||||||
| Canonical SMILES |
[O-][S@@+](Cc1ccc(Cl)cc1)c1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22ClN3O4S2/c27-18-7-5-17(6-8-18)16-36(33)26-29-22-10-9-19(15-23(22)35-26)28-24(31)20-3-1-2-4-21(20)25(32)30-11-13-34-14-12-30/h1-10,15H,11-14,16H2,(H,28,31)/t36-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NFSIXUUHGXFBGJ-BHVANESWSA-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