General Information of the Compound
| Compound ID |
CP0578116
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 309
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23F5N4O4
|
||||||||||||||||||
| Molecular Weight |
514.451
|
||||||||||||||||||
| Canonical SMILES |
OCCN1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(ccc34)C(F)(F)F)cc2NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23F5N4O4/c24-11-22(12-25)9-18(16-4-2-14(23(26,27)28)7-19(16)36-22)30-20(34)29-15-3-1-13-10-32(5-6-33)21(35)31-17(13)8-15/h1-4,7-8,18,33H,5-6,9-12H2,(H,31,35)(H2,29,30,34)/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNDOVURWQMSLEK-GOSISDBHSA-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