General Information of the Compound
| Compound ID |
CP0394597
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2R)-2-amino-2-(3-fluoro-5-methylphenyl)ethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H33F3N6O4
|
||||||||||||||||||
| Molecular Weight |
622.648
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(F)cc(c1)[C@@H](N)Cn1c(=O)c(N2CCN(Cc3cccc(c3)[N+]([O-])=O)CC2)c(C)n(Cc2c(F)cccc2F)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H33F3N6O4/c1-20-13-23(16-24(33)14-20)29(36)19-40-31(42)30(21(2)39(32(40)43)18-26-27(34)7-4-8-28(26)35)38-11-9-37(10-12-38)17-22-5-3-6-25(15-22)41(44)45/h3-8,13-16,29H,9-12,17-19,36H2,1-2H3/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CEDSWCIKNDKZLI-LJAQVGFWSA-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