General Information of the Compound
| Compound ID |
CP0548928
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012651, 65
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H25F4N3O
|
||||||||||||||||||
| Molecular Weight |
363.399
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)N1CCCC(C1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H25F4N3O/c1-11(2)15(10-25)22-8-14-13(18)5-6-16(23-14)24-7-3-4-12(9-24)17(19,20)21/h5-6,11-12,15,22,25H,3-4,7-10H2,1-2H3/t12?,15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DOOMMOODUSTJDK-CVRLYYSRSA-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