General Information of the Compound
| Compound ID |
CP0455437
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[(1R)-2-[3-[(2,6-difluorophenyl)methyl]-4-methyl-2,6-dioxo-5-[4-[[5-(trifluoromethyl)furan-2-yl]methyl]piperazin-1-yl]pyrimidin-1-yl]-1-(2-methoxyphenyl)ethyl]amino]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H38F5N5O6
|
||||||||||||||||||
| Molecular Weight |
719.708
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1[C@H](Cn1c(=O)c(N2CCN(Cc3ccc(o3)C(F)(F)F)CC2)c(C)n(Cc2c(F)cccc2F)c1=O)NCCCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H38F5N5O6/c1-22-32(43-17-15-42(16-18-43)19-23-12-13-30(51-23)35(38,39)40)33(48)45(34(49)44(22)20-25-26(36)8-5-9-27(25)37)21-28(41-14-6-11-31(46)47)24-7-3-4-10-29(24)50-2/h3-5,7-10,12-13,28,41H,6,11,14-21H2,1-2H3,(H,46,47)/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BYCACFYOTLMRLF-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