General Information of the Compound
| Compound ID |
CP0855874
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)-1-isobutyl-6-methyl-1H-pyrimidine-2,4-dione TFA
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27F4N3O4
|
||||||||||||||||||
| Molecular Weight |
509.5
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CC(C)C.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26FN3O2.C2HF3O2/c1-15(2)13-26-16(3)21(18-11-7-8-12-19(18)24)22(28)27(23(26)29)14-20(25)17-9-5-4-6-10-17;3-2(4,5)1(6)7/h4-12,15,20H,13-14,25H2,1-3H3;(H,6,7)/t20-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKSXWCIYOLKLDT-BDQAORGHSA-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