General Information of the Compound
| Compound ID |
CP0251702
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012461, 12
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30F3N5O
|
||||||||||||||||||
| Molecular Weight |
497.565
|
||||||||||||||||||
| Canonical SMILES |
CC(C(N)=O)c1ccccc1CCc1nc(Nc2ccc(cc2)C2CCNCC2)ncc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30F3N5O/c1-17(25(31)36)22-5-3-2-4-20(22)8-11-24-23(27(28,29)30)16-33-26(35-24)34-21-9-6-18(7-10-21)19-12-14-32-15-13-19/h2-7,9-10,16-17,19,32H,8,11-15H2,1H3,(H2,31,36)(H,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXLHPKHELDZSGA-UHFFFAOYSA-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