General Information of the Compound
| Compound ID |
CP0968414
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-(4-((2,4-difluorophenyl)sulfonyl)piperidin-1-yl)-6-methylpyridin-3-yl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25F2N5O4S
|
||||||||||||||||||
| Molecular Weight |
505.547
|
||||||||||||||||||
| Canonical SMILES |
COc1nn(C)cc1C(=O)Nc1cnc(C)cc1N1CCC(S(=O)(=O)c2ccc(F)cc2F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25F2N5O4S/c1-14-10-20(19(12-26-14)27-22(31)17-13-29(2)28-23(17)34-3)30-8-6-16(7-9-30)35(32,33)21-5-4-15(24)11-18(21)25/h4-5,10-13,16H,6-9H2,1-3H3,(H,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGISUTVXBSWMMT-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