General Information of the Compound
| Compound ID |
CP0460712
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-5-[4-[(5-tert-butylfuran-2-yl)methyl]piperazin-1-yl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H39F4N5O3
|
||||||||||||||||||
| Molecular Weight |
641.71
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(N2CCN(Cc3ccc(o3)C(C)(C)C)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H39F4N5O3/c1-22-30(41-17-15-40(16-18-41)19-24-13-14-29(46-24)33(2,3)4)31(44)43(21-28(39)23-9-6-5-7-10-23)32(45)42(22)20-25-26(34(36,37)38)11-8-12-27(25)35/h5-14,28H,15-21,39H2,1-4H3/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMEJTBWHSHTUBP-NDEPHWFRSA-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