General Information of the Compound
| Compound ID |
CP0562284
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33FN2O5
|
||||||||||||||||||
| Molecular Weight |
532.612
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CN(Cc2ccc(F)cc2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H33FN2O5/c1-21(24-6-10-27-25(18-24)13-15-38-27)33(19-22-3-7-26(32)8-4-22)20-23-5-9-28(29(17-23)37-2)39-16-14-34-30(35)11-12-31(34)36/h3-10,17-18,21H,11-16,19-20H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCMXYAKQJZQZEY-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