General Information of the Compound
| Compound ID |
CP0472548
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6R)-6-[[5-chloro-2-fluoro-4-[5-[2-methyl-6-(propan-2-ylamino)pyridin-4-yl]-1,3,4-thiadiazol-2-yl]phenoxy]methyl]morpholin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23ClFN5O3S
|
||||||||||||||||||
| Molecular Weight |
491.976
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Nc1cc(cc(C)n1)-c1nnc(s1)-c1cc(F)c(OC[C@H]2CNC(=O)CO2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23ClFN5O3S/c1-11(2)26-19-5-13(4-12(3)27-19)21-28-29-22(33-21)15-6-17(24)18(7-16(15)23)32-9-14-8-25-20(30)10-31-14/h4-7,11,14H,8-10H2,1-3H3,(H,25,30)(H,26,27)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XSDXLXDCPHTPBR-CQSZACIVSA-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 | |||||||||||||||||||
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