General Information of the Compound
| Compound ID |
CP0845513
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-hydroxy-7-(3-(5-hydroxy-7-sulfo-6-((E)-(6-sulfonaphthalen-1-yl)diazenyl)naphthalen-2-yl)ureido)-3-((E)-m-tolyldiazenyl)naphthalene-2-sulfonic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C38H28N6O12S3
|
||||||||||||||||||
| Molecular Weight |
856.873
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(/N=N/c2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(/N=N/c6ccc7cc(S(=O)(=O)O)ccc7c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H28N6O12S3/c1-20-3-2-4-27(13-20)41-43-34-32(58(51,52)53)18-23-15-25(8-11-30(23)36(34)45)39-38(47)40-26-9-12-31-24(16-26)19-33(59(54,55)56)35(37(31)46)44-42-28-7-5-22-17-29(57(48,49)50)10-6-21(22)14-28/h2-19,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/b43-41+,44-42+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHNPNFGCYLLNGG-CHQNLTHESA-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