General Information of the Compound
| Compound ID |
CP0571051
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11001561, Compound 24
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23Cl2F3N4O2
|
||||||||||||||||||
| Molecular Weight |
491.341
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C(F)(F)F)[C@@H]1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23Cl2F3N4O2/c1-11-17(27)20(10-32-11)6-8-29(9-7-20)18-15(21(24,25)26)19(31)30(12(2)28-18)14-5-3-4-13(22)16(14)23/h3-5,11,17H,6-10,27H2,1-2H3/t11-,17+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LCXRXVJQHMVRDX-APPDUMDISA-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 | |||||||||||||||||||
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