General Information of the Compound
| Compound ID |
CP0472328
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012651, 198
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17F3N4O2
|
||||||||||||||||||
| Molecular Weight |
342.321
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O)[C@@H](CO)NCc1ccnc(n1)-c1ccc(cn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17F3N4O2/c1-9(24)13(8-23)21-7-11-4-5-19-14(22-11)12-3-2-10(6-20-12)15(16,17)18/h2-6,9,13,21,23-24H,7-8H2,1H3/t9-,13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UODKKJMMUNAYGS-NOZJJQNGSA-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