General Information of the Compound
| Compound ID |
CP0539150
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9242943, 23
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24ClFN4O
|
||||||||||||||||||
| Molecular Weight |
390.89
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(Nc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1)c1ccc(Cl)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24ClFN4O/c1-12(2)19(17-7-4-13(21)9-24-17)25-14-5-6-16(22)15(8-14)20(3)11-27-10-18(23)26-20/h4-9,12,19,25H,10-11H2,1-3H3,(H2,23,26)/t19?,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUDAQSPLHDYMTP-ANYOKISRSA-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