General Information of the Compound
| Compound ID |
CP0455530
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2046863
Show/Hide
|
||||||||||||||||||
| Formula |
C23H27FN2
|
||||||||||||||||||
| Molecular Weight |
350.481
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1C[C@H]2[C@@H](C1)[C@@]2(N1CCN(CC1)c1ccccc1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27FN2/c1-17-15-21-22(16-17)23(21,18-7-9-19(24)10-8-18)26-13-11-25(12-14-26)20-5-3-2-4-6-20/h2-10,17,21-22H,11-16H2,1H3/t17-,21-,22+,23+
Show/Hide
|
||||||||||||||||||
| InChIKey |
HHIGXPZDEMMQCT-WKJJFCIUSA-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 | |||||||||||||||||||
| 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