General Information of the Compound
| Compound ID |
CP0495009
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9120798, Comparator 2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35F3N4O2S
|
||||||||||||||||||
| Molecular Weight |
572.697
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1sc(Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3ccccc23)nc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35F3N4O2S/c1-5-39-26(38)24-25(30(31,32)33)35-27(40-24)34-21-11-7-9-13-23(21)37-19-29(20-10-6-8-12-22(20)37)14-16-36(17-15-29)18-28(2,3)4/h6-13H,5,14-19H2,1-4H3,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PDWWWFNSHFMZNN-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