General Information of the Compound
| Compound ID |
CP0552791
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
Show/Hide
|
||||||||||||||||||
| Formula |
C29H25N7O4
|
||||||||||||||||||
| Molecular Weight |
535.564
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(no4)-c4ccncc4)c(N[C@H](CO)c4ccccc4)n3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25N7O4/c1-29(2)22-14-19(8-9-20(22)27(38)39-29)32-28-31-15-21(26-34-24(36-40-26)18-10-12-30-13-11-18)25(35-28)33-23(16-37)17-6-4-3-5-7-17/h3-15,23,37H,16H2,1-2H3,(H2,31,32,33,35)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIFRAZQXNNPZBV-HSZRJFAPSA-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 | |||||||||||||||||||
| 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