General Information of the Compound
| Compound ID |
CP0893227
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{N'-[1-(3,4-Dimethyl-phenyl)-3-methyl-5-oxo-1,5-dihydro-pyrazol-4-ylidene]-hydrazino}-3-hydroxy-naphthalene-1-sulfonic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C22H20N4O5S
|
||||||||||||||||||
| Molecular Weight |
452.492
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-n2[nH]c(C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20N4O5S/c1-12-8-9-15(10-13(12)2)26-22(28)20(14(3)25-26)23-24-21-17-7-5-4-6-16(17)19(11-18(21)27)32(29,30)31/h4-11,25,27H,1-3H3,(H,29,30,31)/b24-23+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SOFXJARJVWDDCL-WCWDXBQESA-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 | |||||||||||||||||||
| 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