General Information of the Compound
| Compound ID |
CP0453687
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(E)-[4-(4-fluorophenyl)piperazin-1-yl]iminomethyl]benzene-1,3-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18FN3O2
|
||||||||||||||||||
| Molecular Weight |
315.348
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(\C=N\N2CCN(CC2)c2ccc(F)cc2)c(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18FN3O2/c18-14-2-4-15(5-3-14)20-7-9-21(10-8-20)19-12-13-1-6-16(22)11-17(13)23/h1-6,11-12,22-23H,7-10H2/b19-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
BFAABKVFIIAOOJ-XDHOZWIPSA-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