General Information of the Compound
| Compound ID |
CP0468926
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30F4N6O2S
|
||||||||||||||||||
| Molecular Weight |
602.658
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(N2CCN(Cc3cscn3)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30F4N6O2S/c1-19-26(37-12-10-36(11-13-37)14-21-17-42-18-35-21)27(40)39(16-25(34)20-6-3-2-4-7-20)28(41)38(19)15-22-23(29(31,32)33)8-5-9-24(22)30/h2-9,17-18,25H,10-16,34H2,1H3/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGNZGSHFVWALCB-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