General Information of the Compound
| Compound ID |
CP0544521
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 123
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27N3O5S2
|
||||||||||||||||||
| Molecular Weight |
549.674
|
||||||||||||||||||
| Canonical SMILES |
CN1CCOc2cc(ccc12)S(=O)(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N3O5S2/c1-31-13-14-34-27-16-23(9-10-24(27)31)38(32,33)30-18-22-17-29-28(37-22)35-21-8-12-26-20(15-21)7-11-25(36-26)19-5-3-2-4-6-19/h2-6,8-10,12,15-17,25,30H,7,11,13-14,18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPBMJAKYJHYFHF-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