General Information of the Compound
| Compound ID |
CP0476697
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H13N5O
|
||||||||||||||||||
| Molecular Weight |
207.237
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)\N=C(/N)N=C(N)N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H13N5O/c1-15-7-4-2-6(3-5-7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKFRZIDBWCMAJU-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
43191-41-9
|
||||||||||||||||||
| 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