General Information of the Compound
| Compound ID |
CP0403440
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 157
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H28N4O5S2
|
||||||||||||||||||
| Molecular Weight |
588.711
|
||||||||||||||||||
| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(CCOCC3)c3ccc(C)cc3)cc(OC)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H28N4O5S2/c1-18-4-6-19(7-5-18)30(8-10-37-11-9-30)27-31-20(17-40-27)16-38-24-12-21(35-2)13-25-22(24)14-26(39-25)23-15-34-28(32-23)41-29(33-34)36-3/h4-7,12-15,17H,8-11,16H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MSSZDMRYRKOYGR-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