General Information of the Compound
| Compound ID |
CP0961399
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)-N-((4'-fluoro-[1,1'-biphenyl]-4-yl)methyl)benzamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22ClFN4O2
|
||||||||||||||||||
| Molecular Weight |
464.928
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)NCc3ccc(-c4ccc(F)cc4)cc3)c2)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21FN4O2.ClH/c26-21-10-8-19(9-11-21)18-6-4-17(5-7-18)15-28-25(31)20-2-1-3-23(12-20)32-24-13-22(14-27)29-16-30-24;/h1-13,16H,14-15,27H2,(H,28,31);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMIHZJCIMAEHRN-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