General Information of the Compound
| Compound ID |
CP0042069
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-2-(pyrimidin-2-ylamino)-propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N4O4
|
||||||||||||||||||
| Molecular Weight |
444.491
|
||||||||||||||||||
| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ncccn2)C(O)=O)cc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N4O4/c1-17-21(28-23(33-17)19-6-3-2-4-7-19)12-15-32-20-10-8-18(9-11-20)16-22(24(30)31)29-25-26-13-5-14-27-25/h2-11,13-14,22H,12,15-16H2,1H3,(H,30,31)(H,26,27,29)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WHSXOSCUKMNJKZ-QFIPXVFZSA-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