General Information of the Compound
| Compound ID |
CP0930297
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-benzamido-4-hydroxy-3-((5-(4-hydroxy-6-(4-sulfophenylamino)-1,3,5-triazin-2-ylamino)-2-sulfophenyl)diazenyl)naphthalene-2,7-disulfonic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C32H24N8O15S4
|
||||||||||||||||||
| Molecular Weight |
888.853
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Nc4nc(O)nc(Nc5ccc(S(=O)(=O)O)cc5)n4)ccc3S(=O)(=O)O)c(O)c12)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H24N8O15S4/c41-28-26-17(12-21(57(47,48)49)15-23(26)35-29(42)16-4-2-1-3-5-16)13-25(59(53,54)55)27(28)40-39-22-14-19(8-11-24(22)58(50,51)52)34-31-36-30(37-32(43)38-31)33-18-6-9-20(10-7-18)56(44,45)46/h1-15,41H,(H,35,42)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,33,34,36,37,38,43)/b40-39+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PYVIZSFNPMIUEY-XQQUEIPISA-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