General Information of the Compound
| Compound ID |
CP0497528
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-1-(4-methylsulfonylphenyl)-5-(2-phenylmethoxyphenyl)pyrrole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23NO3S
|
||||||||||||||||||
| Molecular Weight |
417.53
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-c2ccccc2OCc2ccccc2)n1-c1ccc(cc1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23NO3S/c1-19-12-17-24(26(19)21-13-15-22(16-14-21)30(2,27)28)23-10-6-7-11-25(23)29-18-20-8-4-3-5-9-20/h3-17H,18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRDJNCIZLJNZCU-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