General Information of the Compound
| Compound ID |
CP0490153
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-5-[1-(4-cetyloxyphenyl)-1-phenylmethylene]sulfohydrazonoisophthalic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H48N2O7S
|
||||||||||||||||||
| Molecular Weight |
664.865
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=N\NS(=O)(=O)c1cc(cc(c1)C(O)=O)C(O)=O)\c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H48N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-46-33-23-21-30(22-24-33)35(29-19-16-15-17-20-29)38-39-47(44,45)34-27-31(36(40)41)26-32(28-34)37(42)43/h15-17,19-24,26-28,39H,2-14,18,25H2,1H3,(H,40,41)(H,42,43)/b38-35+
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIYSHCQALNQVBY-OBEQGSJMSA-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