General Information of the Compound
| Compound ID |
CP0546556
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047103, 229
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H26N4O5S
|
||||||||||||||||||
| Molecular Weight |
554.628
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCc2nc(sc2C)-c2cccc(COC(C)=O)c2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H26N4O5S/c1-17-8-9-29-31-24(14-34(29)33-17)28-13-23-26(11-22(36-4)12-27(23)39-28)38-16-25-18(2)40-30(32-25)21-7-5-6-20(10-21)15-37-19(3)35/h5-14H,15-16H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWQMDEUSPIYRSL-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