General Information of the Compound
| Compound ID |
CP0561643
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10207991, Ex. Cpd. No. 28
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28FNO2
|
||||||||||||||||||
| Molecular Weight |
357.469
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28FNO2/c1-15(2)26-21-12-16(8-9-20(21)25)10-11-22(3,4)24-13-17-6-5-7-19(23)18(17)14-24/h5-9,12,15,25H,10-11,13-14H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZMKZNSLFDBBJT-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