General Information of the Compound
| Compound ID |
CP0574596
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(4-cyanophenyl)ethyl]-1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]guanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N6O
|
||||||||||||||||||
| Molecular Weight |
374.448
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C)c2[nH]cc(\C=N\NC(=N)NCCc3ccc(cc3)C#N)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N6O/c1-14-9-18(28-2)10-19-17(12-25-20(14)19)13-26-27-21(23)24-8-7-15-3-5-16(11-22)6-4-15/h3-6,9-10,12-13,25H,7-8H2,1-2H3,(H3,23,24,27)/b26-13+
Show/Hide
|
||||||||||||||||||
| InChIKey |
FYZWGIYSEROFSK-LGJNPRDNSA-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 | |||||||||||||||||||
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