General Information of the Compound
| Compound ID |
CP0484126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-benzyl-thiazol-4-yl)-1-(2,6-difluoro-benzyl)-6-methyl-1H-pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H26F2N4O2S
|
||||||||||||||||||
| Molecular Weight |
544.627
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(-c2csc(Cc3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H26F2N4O2S/c1-19-28(26-18-39-27(34-26)15-20-9-4-2-5-10-20)29(37)36(17-25(33)21-11-6-3-7-12-21)30(38)35(19)16-22-23(31)13-8-14-24(22)32/h2-14,18,25H,15-17,33H2,1H3/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RRJCEMDPAYFGDJ-VWLOTQADSA-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