General Information of the Compound
| Compound ID |
CP0918282
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((R)-2-Amino-2-phenyl-ethyl)-1-cyclopropylmethyl-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione TFA
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25F4N3O4
|
||||||||||||||||||
| Molecular Weight |
507.484
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CC1CC1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24FN3O2.C2HF3O2/c1-15-21(18-9-5-6-10-19(18)24)22(28)27(23(29)26(15)13-16-11-12-16)14-20(25)17-7-3-2-4-8-17;3-2(4,5)1(6)7/h2-10,16,20H,11-14,25H2,1H3;(H,6,7)/t20-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFYSLEUIRGTSQL-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