General Information of the Compound
| Compound ID |
CP0580216
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(1S)-1-[[2-[2-(4-fluorophenyl)ethyl]-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]amino]ethyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33FN2O5S
|
||||||||||||||||||
| Molecular Weight |
552.668
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)c1c(CCc2ccc(F)cc2)sc2CN(CCc12)C(=O)OC(C)(C)C)c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33FN2O5S/c1-18(20-8-10-21(11-9-20)28(35)36)32-27(34)26-23-15-16-33(29(37)38-30(2,3)4)17-25(23)39-24(26)14-7-19-5-12-22(31)13-6-19/h5-6,8-13,18H,7,14-17H2,1-4H3,(H,32,34)(H,35,36)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMWAUQGMHPAEJN-SFHVURJKSA-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 | |||||||||||||||||||
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