General Information of the Compound
| Compound ID |
CP0471839
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Chloro-4-hydroxy-benzoic acid {4-[2-(4-trifluoromethoxy-benzylamino)-ethoxy]-naphthalen-1-ylmethylene}-hydrazide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H23ClF3N3O4
|
||||||||||||||||||
| Molecular Weight |
557.956
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCCNCc2ccc(OC(F)(F)F)cc2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H23ClF3N3O4/c29-24-15-19(7-11-25(24)36)27(37)35-34-17-20-8-12-26(23-4-2-1-3-22(20)23)38-14-13-33-16-18-5-9-21(10-6-18)39-28(30,31)32/h1-12,15,17,33,36H,13-14,16H2,(H,35,37)/b34-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVJHHGIOZBXQDZ-KVAAJVFYSA-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