General Information of the Compound
| Compound ID |
CP0532900
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[(1R)-2-[3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H38F7N5O4
|
||||||||||||||||||
| Molecular Weight |
749.728
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(N2CCN(Cc3cccc(c3)C(F)(F)F)CC2)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H38F7N5O4/c1-24-33(47-18-16-46(17-19-47)21-25-8-5-11-27(20-25)36(39,40)41)34(52)49(23-31(26-9-3-2-4-10-26)45-15-7-14-32(50)51)35(53)48(24)22-28-29(37(42,43)44)12-6-13-30(28)38/h2-6,8-13,20,31,45H,7,14-19,21-23H2,1H3,(H,50,51)/t31-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFALPKWBNPWPHK-HKBQPEDESA-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