General Information of the Compound
| Compound ID |
CP0424096
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8637501, 16
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29FN4O2
|
||||||||||||||||||
| Molecular Weight |
460.553
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCc2c(CC1)c1ccc(cc1n2C)-n1ccc(OCc2ccc(F)cn2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29FN4O2/c1-18(2)31-11-9-24-23-7-6-21(14-26(23)30(3)25(24)10-12-31)32-13-8-22(15-27(32)33)34-17-20-5-4-19(28)16-29-20/h4-8,13-16,18H,9-12,17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKDXMFLEBOXTHI-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