General Information of the Compound
| Compound ID |
CP0531772
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8637501, 81
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22FN5O2
|
||||||||||||||||||
| Molecular Weight |
419.46
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2CCNCCc2c2ccc(nc12)-n1ccc(OCc2ccc(F)cn2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22FN5O2/c1-28-20-7-10-25-9-6-18(20)19-4-5-21(27-23(19)28)29-11-8-17(12-22(29)30)31-14-16-3-2-15(24)13-26-16/h2-5,8,11-13,25H,6-7,9-10,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FYDFKDONBDFMFV-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