General Information of the Compound
| Compound ID |
CP0493317
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8987445, 28
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H24N2O5S
|
||||||||||||||||||
| Molecular Weight |
524.598
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H24N2O5S/c1-21-28-10-6-5-7-24(28)19-31-29(21)32(38(35,36)27-17-13-23(14-18-27)30(33)34)20-22-11-15-26(16-12-22)37-25-8-3-2-4-9-25/h2-19H,20H2,1H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VSIYBBORMOVAJV-UHFFFAOYSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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