General Information of the Compound
| Compound ID |
CP0569367
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[1-[[2-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]cyclopropyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22FNO4S
|
||||||||||||||||||
| Molecular Weight |
451.519
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(Cc2ccc(F)cc2)sc2COCCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22FNO4S/c26-18-7-1-15(2-8-18)13-20-22(19-9-12-31-14-21(19)32-20)23(28)27-25(10-11-25)17-5-3-16(4-6-17)24(29)30/h1-8H,9-14H2,(H,27,28)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUWCATKRIRFSGD-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