General Information of the Compound
| Compound ID |
CP0549588
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-(5-fluoropyridin-2-yl)phenyl]methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C26H25FN4O2
|
||||||||||||||||||
| Molecular Weight |
444.51
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cc2ccc(cc2)-c2ccc(F)cn2)c2cccn2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25FN4O2/c27-20-11-12-21(28-16-20)18-9-7-17(8-10-18)14-19-15-23(30-31-13-3-5-24(19)31)26(33)29-22-4-1-2-6-25(22)32/h3,5,7-13,15-16,22,25,32H,1-2,4,6,14H2,(H,29,33)/t22-,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YAHDWMGWFBLQEU-RCZVLFRGSA-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