General Information of the Compound
| Compound ID |
CP0525485
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(ethylamino)ethyl]-5-pyridin-3-yl-1H-indole-4,7-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17N3O2
|
||||||||||||||||||
| Molecular Weight |
295.342
|
||||||||||||||||||
| Canonical SMILES |
CCNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17N3O2/c1-2-18-7-5-12-10-20-16-14(21)8-13(17(22)15(12)16)11-4-3-6-19-9-11/h3-4,6,8-10,18,20H,2,5,7H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OFCGMFQAVPDEMP-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