General Information of the Compound
| Compound ID |
CP0577387
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-(4-fluorophenyl)sulfonyl-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30FNO5S
|
||||||||||||||||||
| Molecular Weight |
523.626
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)C1(CCN(C1)C(=O)C1CCOCC1)c1ccc(OCc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30FNO5S/c30-25-8-12-27(13-9-25)37(33,34)29(16-17-31(21-29)28(32)23-14-18-35-19-15-23)24-6-10-26(11-7-24)36-20-22-4-2-1-3-5-22/h1-13,23H,14-21H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VCIWLFPZQXFSKY-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