General Information of the Compound
| Compound ID |
CP0477401
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2-fluorobenzyl)-2-(2-pyridinyl)-4,6-pyrimidinediamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14FN5
|
||||||||||||||||||
| Molecular Weight |
295.321
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(nc(N)c1Cc1ccccc1F)-c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14FN5/c17-12-6-2-1-5-10(12)9-11-14(18)21-16(22-15(11)19)13-7-3-4-8-20-13/h1-8H,9H2,(H4,18,19,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BLJDNNFXOCIXOL-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