General Information of the Compound
Compound ID |
CP0547973
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
US8754075, 50
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C21H21F2N5O3
|
||||||||||||||||||
Molecular Weight |
429.427
|
||||||||||||||||||
Canonical SMILES |
CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@]1(C)F
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C21H21F2N5O3/c1-4-5-8-30-17-11-25-16(10-26-17)18(29)27-13-6-7-15(22)14(9-13)21(3)20(2,23)12-31-19(24)28-21/h6-7,9-11H,8,12H2,1-3H3,(H2,24,28)(H,27,29)/t20-,21+/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
MVLCYGXVHAGUKG-LEWJYISDSA-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