General Information of the Compound
| Compound ID |
CP0385566
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9862730, Example 358
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H22F3N3O5S
|
||||||||||||||||||
| Molecular Weight |
581.572
|
||||||||||||||||||
| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cccc(c4)C(F)(F)F)c3)cc(OC)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H22F3N3O5S/c1-36-21-11-24(22-13-26(40-25(22)12-21)23-14-35-27(33-23)41-28(34-35)37-2)39-16-18-6-4-8-20(10-18)38-15-17-5-3-7-19(9-17)29(30,31)32/h3-14H,15-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NXJRNLXFFABWQC-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