General Information of the Compound
| Compound ID |
CP0484031
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012651, 61
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H32FN3O3S
|
||||||||||||||||||
| Molecular Weight |
437.581
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cccc(c1)S(=O)(=O)N(C)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H32FN3O3S/c1-15(2)21(14-27)24-13-20-18(23)10-11-19(25-20)16-8-7-9-17(12-16)30(28,29)26(6)22(3,4)5/h7-12,15,21,24,27H,13-14H2,1-6H3/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PGNYOFLGYTYCLP-NRFANRHFSA-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