General Information of the Compound
| Compound ID |
CP0427429
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2R)-2-amino-2-(2-hydroxyphenyl)ethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H32F2N6O5
|
||||||||||||||||||
| Molecular Weight |
606.63
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(N2CCN(Cc3cccc(c3)[N+]([O-])=O)CC2)c(=O)n(C[C@H](N)c2ccccc2O)c(=O)n1Cc1c(F)cccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H32F2N6O5/c1-20-29(36-14-12-35(13-15-36)17-21-6-4-7-22(16-21)39(43)44)30(41)38(19-27(34)23-8-2-3-11-28(23)40)31(42)37(20)18-24-25(32)9-5-10-26(24)33/h2-11,16,27,40H,12-15,17-19,34H2,1H3/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BDYZFMRLAYNPOV-MHZLTWQESA-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