General Information of the Compound
| Compound ID |
CP0190530
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((R)-5-cyano-6-fluoro-8-methyl-1-propyl-3,4-dihydro-1H-benzo[4,5]thieno[2,3-c]pyran-1-yl)-acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18FNO3S
|
||||||||||||||||||
| Molecular Weight |
347.411
|
||||||||||||||||||
| Canonical SMILES |
CCC[C@]1(CC(O)=O)OCCc2c1sc1c(C)cc(F)c(C#N)c21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18FNO3S/c1-3-5-18(8-14(21)22)17-11(4-6-23-18)15-12(9-20)13(19)7-10(2)16(15)24-17/h7H,3-6,8H2,1-2H3,(H,21,22)/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XEPYXSNMTYAXLO-GOSISDBHSA-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 | |||||||||||||||||||