General Information of the Compound
| Compound ID |
CP0501351
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-[2-(2-methoxy-phenylamino)-thiazol-4-yl]-6-methyl-1H-pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27F2N5O3S
|
||||||||||||||||||
| Molecular Weight |
575.641
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1Nc1nc(cs1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27F2N5O3S/c1-18-27(25-17-41-29(35-25)34-24-13-6-7-14-26(24)40-2)28(38)37(16-23(33)19-9-4-3-5-10-19)30(39)36(18)15-20-21(31)11-8-12-22(20)32/h3-14,17,23H,15-16,33H2,1-2H3,(H,34,35)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGIHQOVLCZJBPP-QHCPKHFHSA-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