General Information of the Compound
| Compound ID |
CP0297795
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[2-[3-(trifluoromethyl)phenyl]ethylamino]propylsulfanyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28F3N3O3S2
|
||||||||||||||||||
| Molecular Weight |
515.623
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CNCCSCCCNCCc1cccc(c1)C(F)(F)F)c1ccc(O)c2[nH]c(=O)sc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28F3N3O3S2/c24-23(25,26)16-4-1-3-15(13-16)7-9-27-8-2-11-33-12-10-28-14-19(31)17-5-6-18(30)20-21(17)34-22(32)29-20/h1,3-6,13,19,27-28,30-31H,2,7-12,14H2,(H,29,32)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKVLSJZELYFVGN-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