General Information of the Compound
| Compound ID |
CP0573466
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(E)-(5-methoxy-7-methyl-1H-indol-3-yl)methylideneamino]-2-[2-(4-methylphenyl)ethyl]guanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N5O
|
||||||||||||||||||
| Molecular Weight |
363.465
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C)c2[nH]cc(\C=N\NC(=N)NCCc3ccc(C)cc3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N5O/c1-14-4-6-16(7-5-14)8-9-23-21(22)26-25-13-17-12-24-20-15(2)10-18(27-3)11-19(17)20/h4-7,10-13,24H,8-9H2,1-3H3,(H3,22,23,26)/b25-13+
Show/Hide
|
||||||||||||||||||
| InChIKey |
LSELNYGDLSDGRS-DHRITJCHSA-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