General Information of the Compound
| Compound ID |
CP0468799
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-(3-phenylpiperidin-1-yl)pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H32F2N4O2
|
||||||||||||||||||
| Molecular Weight |
530.619
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(N2CCCC(C2)c2ccccc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H32F2N4O2/c1-21-29(35-17-9-14-24(18-35)22-10-4-2-5-11-22)30(38)37(20-28(34)23-12-6-3-7-13-23)31(39)36(21)19-25-26(32)15-8-16-27(25)33/h2-8,10-13,15-16,24,28H,9,14,17-20,34H2,1H3/t24?,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FSSXOQRTPQSCLE-AZKKKJBWSA-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