General Information of the Compound
| Compound ID |
CP0466070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[6-[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23FN4O2
|
||||||||||||||||||
| Molecular Weight |
418.472
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23FN4O2/c25-19-6-5-17-9-14-29(22(17)15-19)20-10-12-28(13-11-20)23-8-7-21(26-27-23)16-1-3-18(4-2-16)24(30)31/h1-8,15,20H,9-14H2,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSUIRJLRUPZRJL-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