General Information of the Compound
| Compound ID |
CP0123190
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-3-(4-methylpiperidin-1-yl)carbonyl-benzo[f][1]benzofuran-4,9-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19NO4
|
||||||||||||||||||
| Molecular Weight |
337.375
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(CC1)C(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19NO4/c1-11-7-9-21(10-8-11)20(24)15-12(2)25-19-16(15)17(22)13-5-3-4-6-14(13)18(19)23/h3-6,11H,7-10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QOGGXHNNRVSSHD-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3