General Information of the Compound
| Compound ID |
CP0438689
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(pyridin-3-ylsulfonyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H28N4O4S
|
||||||||||||||||||
| Molecular Weight |
540.645
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H28N4O4S/c35-30(33-39(36,37)28-7-3-15-31-21-28)13-12-26-11-9-24(22-34-17-4-16-32-34)20-29(26)38-18-14-23-8-10-25-5-1-2-6-27(25)19-23/h1-11,15-17,19-21H,12-14,18,22H2,(H,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZIBNPXSFCSQQNQ-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