General Information of the Compound
| Compound ID |
CP0433529
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[1-(benzenesulfonyl)-2-methylindol-3-yl]-(4-benzyl-4-hydroxypiperidin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28N2O4S
|
||||||||||||||||||
| Molecular Weight |
488.609
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28N2O4S/c1-21-26(27(31)29-18-16-28(32,17-19-29)20-22-10-4-2-5-11-22)24-14-8-9-15-25(24)30(21)35(33,34)23-12-6-3-7-13-23/h2-15,32H,16-20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QDEZWIMAAABMAJ-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