General Information of the Compound
| Compound ID |
CP0556156
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9163011, 19
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14ClF3N6O2
|
||||||||||||||||||
| Molecular Weight |
414.775
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2N)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14ClF3N6O2/c1-15(16(19,20)6-28-14(22)26-15)12-8(18)2-3-10(24-12)25-13(27)11-9(21)4-7(17)5-23-11/h2-5H,6,21H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XSIPOULVCGGORY-OAHLLOKOSA-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