General Information of the Compound
| Compound ID |
CP0472869
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[(1R,6R)-6-(azetidin-1-yl)-2-(4-fluorophenyl)cyclohex-2-en-1-yl]methoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25Cl2F2N3O3S2
|
||||||||||||||||||
| Molecular Weight |
588.529
|
||||||||||||||||||
| Canonical SMILES |
Cl.Fc1ccc(cc1)C1=CCC[C@H]([C@@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)N1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24ClF2N3O3S2.ClH/c26-20-11-24(36(32,33)30-25-14-35-15-29-25)21(28)12-23(20)34-13-19-18(16-5-7-17(27)8-6-16)3-1-4-22(19)31-9-2-10-31;/h3,5-8,11-12,14-15,19,22,30H,1-2,4,9-10,13H2;1H/t19-,22-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LEMHVQCRXRUVBM-JENXBZAWSA-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