General Information of the Compound
| Compound ID |
CP0404079
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(diethylaminomethyl)phenyl] 2-(1H-indol-3-yl)acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N2O2
|
||||||||||||||||||
| Molecular Weight |
336.435
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)Cc1ccc(OC(=O)Cc2c[nH]c3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N2O2/c1-3-23(4-2)15-16-9-11-18(12-10-16)25-21(24)13-17-14-22-20-8-6-5-7-19(17)20/h5-12,14,22H,3-4,13,15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YPDRGNNZSFTDQE-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