General Information of the Compound
| Compound ID |
CP0484028
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012651, 46
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32FN3O2
|
||||||||||||||||||
| Molecular Weight |
413.537
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cccc(c1)C(=O)N1CCC(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32FN3O2/c1-16(2)23(15-29)26-14-22-20(25)7-8-21(27-22)18-5-4-6-19(13-18)24(30)28-11-9-17(3)10-12-28/h4-8,13,16-17,23,26,29H,9-12,14-15H2,1-3H3/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBIIBSKJGHOOPC-QHCPKHFHSA-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