General Information of the Compound
| Compound ID |
CP0486605
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[7-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-b]pyridazin-6-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18F3N3O2
|
||||||||||||||||||
| Molecular Weight |
389.377
|
||||||||||||||||||
| Canonical SMILES |
OC[C@@H]1CCCN1C(=O)c1cc2cccnn2c1-c1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18F3N3O2/c21-20(22,23)14-5-1-4-13(10-14)18-17(11-15-6-2-8-24-26(15)18)19(28)25-9-3-7-16(25)12-27/h1-2,4-6,8,10-11,16,27H,3,7,9,12H2/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IJXFEBPMLCJUBE-INIZCTEOSA-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