General Information of the Compound
| Compound ID |
CP0228650
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[4-[[(7R)-1,1-dioxo-7-phenylthiazepan-2-yl]methyl]-3-fluorophenyl]piperazin-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30FN3O3S
|
||||||||||||||||||
| Molecular Weight |
459.587
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCN(CC1)c1ccc(CN2CCCC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30FN3O3S/c1-19(29)26-13-15-27(16-14-26)22-11-10-21(23(25)17-22)18-28-12-6-5-9-24(32(28,30)31)20-7-3-2-4-8-20/h2-4,7-8,10-11,17,24H,5-6,9,12-16,18H2,1H3/t24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JPIGRPKUSPPFJN-XMMPIXPASA-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 | |||||||||||||||||||