General Information of the Compound
| Compound ID |
CP0156152
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[3-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29FN4O5S
|
||||||||||||||||||
| Molecular Weight |
540.617
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3ccc(C)c(F)c3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29FN4O5S/c1-17-11-12-20(14-21(17)28)38(35,36)31-25-24-22(9-6-10-23(24)37-4)32(30-25)16-19-8-5-7-18(13-19)15-29-26(33)27(2,3)34/h5-14,34H,15-16H2,1-4H3,(H,29,33)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZHUACRFGHOXTJG-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