General Information of the Compound
| Compound ID |
CP0136244
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{[5-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)-1H-indol-1-yl]sulfonyl}benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22Cl2N2O6S
|
||||||||||||||||||
| Molecular Weight |
585.465
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1onc(c1COc1ccc2n(ccc2c1)S(=O)(=O)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22Cl2N2O6S/c1-16(2)27-21(26(31-38-27)25-22(29)7-4-8-23(25)30)15-37-19-9-10-24-17(13-19)11-12-32(24)39(35,36)20-6-3-5-18(14-20)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FLCYQOXMJYAMLK-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