General Information of the Compound
| Compound ID |
CP0393949
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4060400
Show/Hide
|
||||||||||||||||||
| Formula |
C26H25FN4O3
|
||||||||||||||||||
| Molecular Weight |
460.509
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn2c(O)cc(nc2c1-c1ccc(F)cc1)C1CCN(CC1)C(=O)OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25FN4O3/c1-17-24(20-7-9-21(27)10-8-20)25-28-22(15-23(32)31(25)29-17)19-11-13-30(14-12-19)26(33)34-16-18-5-3-2-4-6-18/h2-10,15,19,32H,11-14,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQKIDQKOAUUVAT-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 | |||||||||||||||||||
| 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
Protein ID: PT05347, Short transient receptor potential channel 3
Protein ID: PT06402, Short transient receptor potential channel 6
Protein ID: PT06627, Short transient receptor potential channel 7