General Information of the Compound
| Compound ID |
CP0505000
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1-(2-((3-(dimethylamino)propyl)(ethyl)amino)ethyl)-3-(naphthalen-1-ylmethyl)imidazolidin-2-ylidene)malononitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34N6
|
||||||||||||||||||
| Molecular Weight |
430.6
|
||||||||||||||||||
| Canonical SMILES |
CCN(CCCN(C)C)CCN1CCN(Cc2cccc3ccccc23)C1=C(C#N)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34N6/c1-4-30(14-8-13-29(2)3)15-16-31-17-18-32(26(31)24(19-27)20-28)21-23-11-7-10-22-9-5-6-12-25(22)23/h5-7,9-12H,4,8,13-18,21H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJCGJSSCXUXQOQ-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