General Information of the Compound
| Compound ID |
CP0530727
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl 7-fluoro-5-methylsulfonyl-2,3-dihydroindole-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H33FN2O6S
|
||||||||||||||||||
| Molecular Weight |
484.59
|
||||||||||||||||||
| Canonical SMILES |
CC(COC(=O)N1CCc2cc(cc(F)c12)S(C)(=O)=O)C1CCN(CC1)C(=O)OC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H33FN2O6S/c1-15(16-6-9-25(10-7-16)21(27)32-23(2,3)4)14-31-22(28)26-11-8-17-12-18(33(5,29)30)13-19(24)20(17)26/h12-13,15-16H,6-11,14H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AOSPHWIRDWKZNF-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