General Information of the Compound
| Compound ID |
CP0418271
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9394293, G159a
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20FN3O3S
|
||||||||||||||||||
| Molecular Weight |
437.496
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2nc(NC(=O)c3ccc(cc3)-c3ncc(C[C@@H](O)CO)cc3F)sc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20FN3O3S/c1-13-2-7-19-20(8-13)31-23(26-19)27-22(30)16-5-3-15(4-6-16)21-18(24)10-14(11-25-21)9-17(29)12-28/h2-8,10-11,17,28-29H,9,12H2,1H3,(H,26,27,30)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFAAYCJQDRQTTD-QGZVFWFLSA-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