General Information of the Compound
Compound ID |
CP0516722
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
US9409915, 22
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C27H28F3N7
|
||||||||||||||||||
Molecular Weight |
507.564
|
||||||||||||||||||
Canonical SMILES |
Cn1nc(c(C#N)c1-c1nc2cc(nc(N3CCCCC3)c2[nH]1)-c1ccccc1C(F)(F)F)C(C)(C)C
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C27H28F3N7/c1-26(2,3)23-17(15-31)22(36(4)35-23)24-32-20-14-19(16-10-6-7-11-18(16)27(28,29)30)33-25(21(20)34-24)37-12-8-5-9-13-37/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3,(H,32,34)
Show/Hide
|
||||||||||||||||||
InChIKey |
SSWKMQLMVOPCCO-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