General Information of the Compound
| Compound ID |
CP0875248
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{N'-[1-(3,4-Dimethyl-phenyl)-5-oxo-3-phenyl-1,5-dihydro-pyrazol-4-ylidene]-hydrazino}-3-hydroxy-naphthalene-1-sulfonic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C27H22N4O5S
|
||||||||||||||||||
| Molecular Weight |
514.563
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-n2[nH]c(-c3ccccc3)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22N4O5S/c1-16-12-13-19(14-17(16)2)31-27(33)26(24(30-31)18-8-4-3-5-9-18)29-28-25-21-11-7-6-10-20(21)23(15-22(25)32)37(34,35)36/h3-15,30,32H,1-2H3,(H,34,35,36)/b29-28+
Show/Hide
|
||||||||||||||||||
| InChIKey |
CBQIATZZIJUXJE-ZQHSETAFSA-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