General Information of the Compound
| Compound ID |
CP0579483
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[1-[[2-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]cyclopropyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22F3NO4S
|
||||||||||||||||||
| Molecular Weight |
501.526
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(Cc2cccc(c2)C(F)(F)F)sc2COCCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22F3NO4S/c27-26(28,29)18-3-1-2-15(12-18)13-20-22(19-8-11-34-14-21(19)35-20)23(31)30-25(9-10-25)17-6-4-16(5-7-17)24(32)33/h1-7,12H,8-11,13-14H2,(H,30,31)(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RRANNZXWRRKXGV-UHFFFAOYSA-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