General Information of the Compound
Compound ID |
CP0524548
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
3-((S)-2-Cyclopentylamino-1-methyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C27H31F2N3O3
|
||||||||||||||||||
Molecular Weight |
483.559
|
||||||||||||||||||
Canonical SMILES |
COc1cccc(c1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n([C@@H](C)CNC2CCCC2)c1=O
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C27H31F2N3O3/c1-17(15-30-20-9-4-5-10-20)32-26(33)25(19-8-6-11-21(14-19)35-3)18(2)31(27(32)34)16-22-23(28)12-7-13-24(22)29/h6-8,11-14,17,20,30H,4-5,9-10,15-16H2,1-3H3/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
FZFSCDONZGYLTG-KRWDZBQOSA-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