General Information of the Compound
| Compound ID |
CP0635653
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
cis-5-((2,3-dihydrobenzofuran-5-yl)ethynyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N2O2
|
||||||||||||||||||
| Molecular Weight |
338.451
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1C#Cc1ccc2c(c1)CCO2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N2O2/c1-22-19(7-5-16-6-8-20-17(13-16)9-12-25-20)14-18(21(22)24)15-23-10-3-2-4-11-23/h6,8,13,18-19H,2-4,9-12,14-15H2,1H3/t18-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BSAYMXGAHRLDCA-RTBURBONSA-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