General Information of the Compound
| Compound ID |
CP0500229
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Chloro-4-hydroxy-benzoic acid (4-{2-[2-(4-bromo-phenyl)-ethylamino]-ethoxy}-naphthalen-1-ylmethylene)-hydrazide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25BrClN3O3
|
||||||||||||||||||
| Molecular Weight |
566.883
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCCNCCc2ccc(Br)cc2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25BrClN3O3/c29-22-9-5-19(6-10-22)13-14-31-15-16-36-27-12-8-21(23-3-1-2-4-24(23)27)18-32-33-28(35)20-7-11-26(34)25(30)17-20/h1-12,17-18,31,34H,13-16H2,(H,33,35)/b32-18+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYTDHUVNLKVTCA-KCSSXMTESA-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