General Information of the Compound
| Compound ID |
CP0219109
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymethyl)azetidin-1-ylsulfonyl)indoline-2,3-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25FN2O6S
|
||||||||||||||||||
| Molecular Weight |
524.57
|
||||||||||||||||||
| Canonical SMILES |
FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25FN2O6S/c28-13-15-35-22-8-6-19(7-9-22)17-29-25-11-10-23(16-24(25)26(31)27(29)32)37(33,34)30-14-12-20(30)18-36-21-4-2-1-3-5-21/h1-11,16,20H,12-15,17-18H2/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYGQNSUHNPKJOA-FQEVSTJZSA-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