General Information of the Compound
| Compound ID |
CP0153950
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylsulfonylphenyl)propan-2-yl]-2-hydroxyacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24FN3O5S
|
||||||||||||||||||
| Molecular Weight |
497.548
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)CO)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24FN3O5S/c1-16(28-24(31)15-30)25(17-3-10-22(11-4-17)35(2,32)33)34-21-9-12-23-18(13-21)14-27-29(23)20-7-5-19(26)6-8-20/h3-14,16,25,30H,15H2,1-2H3,(H,28,31)/t16-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWWKKFOVJNHTTL-LMKMVOKYSA-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