General Information of the Compound
| Compound ID |
CP0455433
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2R)-2-amino-2-(5-fluoro-2-methoxyphenyl)ethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H33F3N6O5
|
||||||||||||||||||
| Molecular Weight |
638.647
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(F)cc1[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/C32H33F3N6O5/c1-20-30(38-13-11-37(12-14-38)17-21-5-3-6-23(15-21)41(44)45)31(42)40(19-28(36)24-16-22(33)9-10-29(24)46-2)32(43)39(20)18-25-26(34)7-4-8-27(25)35/h3-10,15-16,28H,11-14,17-19,36H2,1-2H3/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXIYOMUDBBWCFB-NDEPHWFRSA-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