General Information of the Compound
| Compound ID |
CP0507395
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[4-[3-(4-hydroxyphenyl)-6-[methyl-(4-methylphenyl)sulfamoyl]-7-oxabicyclo[2.2.1]hept-2-en-2-yl]anilino]-8-oxooctanoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C34H38N2O7S
|
||||||||||||||||||
| Molecular Weight |
618.752
|
||||||||||||||||||
| Canonical SMILES |
CN(c1ccc(C)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H38N2O7S/c1-22-9-17-26(18-10-22)36(2)44(41,42)29-21-28-32(23-13-19-27(37)20-14-23)33(34(29)43-28)24-11-15-25(16-12-24)35-30(38)7-5-3-4-6-8-31(39)40/h9-20,28-29,34,37H,3-8,21H2,1-2H3,(H,35,38)(H,39,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YFCSEWIAHIPYOK-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 | |||||||||||||||||||
| 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