General Information of the Compound
Compound ID |
CP0563015
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C30H32F2N6O2
|
||||||||||||||||||
Molecular Weight |
546.622
|
||||||||||||||||||
Canonical SMILES |
Cc1c(N2CCN(Cc3ccncc3)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C30H32F2N6O2/c1-21-28(36-16-14-35(15-17-36)18-22-10-12-34-13-11-22)29(39)38(20-27(33)23-6-3-2-4-7-23)30(40)37(21)19-24-25(31)8-5-9-26(24)32/h2-13,27H,14-20,33H2,1H3/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
KUMJRRWQBZQTQI-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