General Information of the Compound
| Compound ID |
CP0754068
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-bromo-2-(2-methoxy-5-nitrobenzyloxy)benzylidene)hydrazinecarboximidamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16BrN5O4
|
||||||||||||||||||
| Molecular Weight |
422.239
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc([N+](=O)[O-])cc1COc1ccc(Br)cc1/C=N/NC(=N)N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16BrN5O4/c1-25-14-5-3-13(22(23)24)7-11(14)9-26-15-4-2-12(17)6-10(15)8-20-21-16(18)19/h2-8H,9H2,1H3,(H4,18,19,21)/b20-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKNUTYSKDFLYQX-DNTJNYDQSA-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