General Information of the Compound
| Compound ID |
CP0474795
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9862730, Example 347
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H23F2N3O4S
|
||||||||||||||||||
| Molecular Weight |
547.583
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(oc2c1)-c1cn2nc(sc2n1)C(C)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H23F2N3O4S/c1-29(30,31)27-33-34-15-23(32-28(34)39-27)26-14-22-24(12-21(35-2)13-25(22)38-26)37-17-19-9-6-10-20(11-19)36-16-18-7-4-3-5-8-18/h3-15H,16-17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAUIYCJBLRAIGR-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