General Information of the Compound
| Compound ID |
CP0435641
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
indan derivative, 1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28N2O4S
|
||||||||||||||||||
| Molecular Weight |
488.609
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28N2O4S/c1-28(2,3)34-27(31)30-25-12-8-7-9-20(25)18-26(30)21-14-13-19-16-23(17-22(19)15-21)29-35(32,33)24-10-5-4-6-11-24/h4-15,18,23,29H,16-17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ODJWHQQYADUVIQ-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