General Information of the Compound
| Compound ID |
CP0953848
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-(methylsulfonyl)phenyl)-4-methoxynicotinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25F2N3O5S
|
||||||||||||||||||
| Molecular Weight |
517.554
|
||||||||||||||||||
| Canonical SMILES |
COc1ccncc1C(=O)Nc1cc(S(C)(=O)=O)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25F2N3O5S/c1-34-23-7-10-28-15-19(23)25(31)29-21-14-18(36(2,32)33)4-5-22(21)30-11-8-17(9-12-30)35-24-6-3-16(26)13-20(24)27/h3-7,10,13-15,17H,8-9,11-12H2,1-2H3,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FLCQYBCPMCKPEE-UHFFFAOYSA-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