General Information of the Compound
| Compound ID |
CP0561557
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9340555, 30
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H29F2N5O5S
|
||||||||||||||||||
| Molecular Weight |
609.655
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)CN1CCN(CC1)C(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)c2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29F2N5O5S/c1-3-41-27(38)17-36-10-12-37(13-11-36)29(39)26-16-24-28(43-26)25(8-9-33-24)42-19-5-7-22(21(32)15-19)34-30(40)35-23-14-18(2)4-6-20(23)31/h4-9,14-16H,3,10-13,17H2,1-2H3,(H2,34,35,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOZCIXWJOIJVFG-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