General Information of the Compound
| Compound ID |
CP0579482
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(1S)-1-[[6-ethyl-2-[2-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]ethyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30FNO3S
|
||||||||||||||||||
| Molecular Weight |
479.617
|
||||||||||||||||||
| Canonical SMILES |
CCC1CCc2c(C1)sc(CCc1ccc(F)cc1)c2C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30FNO3S/c1-3-18-6-14-23-25(16-18)34-24(15-7-19-4-12-22(29)13-5-19)26(23)27(31)30-17(2)20-8-10-21(11-9-20)28(32)33/h4-5,8-13,17-18H,3,6-7,14-16H2,1-2H3,(H,30,31)(H,32,33)/t17-,18?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MPJGHZKOKNHHQR-ZENAZSQFSA-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