General Information of the Compound
| Compound ID |
CP0460594
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-5-[4-[(2-chloropyridin-3-yl)methyl]piperazin-1-yl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H31ClF4N6O2
|
||||||||||||||||||
| Molecular Weight |
631.074
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(N2CCN(Cc3cccnc3Cl)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H31ClF4N6O2/c1-20-27(40-15-13-39(14-16-40)17-22-9-6-12-38-28(22)32)29(43)42(19-26(37)21-7-3-2-4-8-21)30(44)41(20)18-23-24(31(34,35)36)10-5-11-25(23)33/h2-12,26H,13-19,37H2,1H3/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQMHGCMQLZFNCZ-SANMLTNESA-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