General Information of the Compound
| Compound ID |
CP0550814
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 160
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28N4O7S2
|
||||||||||||||||||
| Molecular Weight |
632.72
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc(cc1)C1(CCOCC1)c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28N4O7S2/c1-37-21-12-24(22-14-26(42-25(22)13-21)23-15-35-29(33-23)44-30(34-35)39-3)41-16-20-17-43-28(32-20)31(8-10-40-11-9-31)19-6-4-18(5-7-19)27(36)38-2/h4-7,12-15,17H,8-11,16H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BFSKCTYEANSQMB-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