General Information of the Compound
| Compound ID |
CP0430635
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3-chloro-4-fluorophenylsulfonyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H27ClFN3O4S
|
||||||||||||||||||
| Molecular Weight |
592.092
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1Cl)S(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H27ClFN3O4S/c32-28-20-27(11-12-29(28)33)41(38,39)35-31(37)13-10-25-9-7-23(21-36-16-3-15-34-36)19-30(25)40-17-14-22-6-8-24-4-1-2-5-26(24)18-22/h1-9,11-12,15-16,18-20H,10,13-14,17,21H2,(H,35,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PFIDKAWCTPWFID-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