General Information of the Compound
| Compound ID |
CP0498660
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((4-((4-(4-(4-aminobenzamido)benzamido)-2,5-dimethoxyphenyl)diazenyl)-2,5-dimethylphenyl)diazenyl)naphthalene-1,5-disulfonic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C40H35N7O10S2
|
||||||||||||||||||
| Molecular Weight |
837.893
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\N=N\c2cc(C)c(cc2C)\N=N\c2cc(c3cccc(c3c2)S(O)(=O)=O)S(O)(=O)=O)c(OC)cc1NC(=O)c1ccc(NC(=O)c2ccc(N)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H35N7O10S2/c1-22-17-32(23(2)16-31(22)45-44-28-18-30-29(38(19-28)59(53,54)55)6-5-7-37(30)58(50,51)52)46-47-34-21-35(56-3)33(20-36(34)57-4)43-40(49)25-10-14-27(15-11-25)42-39(48)24-8-12-26(41)13-9-24/h5-21H,41H2,1-4H3,(H,42,48)(H,43,49)(H,50,51,52)(H,53,54,55)/b45-44+,47-46+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VLUCSPTXKDMVQJ-SWHLYJMESA-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