General Information of the Compound
| Compound ID |
CP0349565
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3,3-dimethyl-1-oxo-2-benzofuran-5-yl)amino]-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyrimidine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23N5O4
|
||||||||||||||||||
| Molecular Weight |
433.468
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)OC(=O)c2ccc(Nc3ncc(C(N)=O)c(N[C@H](CO)c4ccccc4)n3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N5O4/c1-23(2)17-10-14(8-9-15(17)21(31)32-23)26-22-25-11-16(19(24)30)20(28-22)27-18(12-29)13-6-4-3-5-7-13/h3-11,18,29H,12H2,1-2H3,(H2,24,30)(H2,25,26,27,28)/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GIRPCUVQSUVBEK-GOSISDBHSA-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