General Information of the Compound
| Compound ID |
CP0515528
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9233953, 90
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18F4N4O4S2
|
||||||||||||||||||
| Molecular Weight |
482.481
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(s1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1nnc(o1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18F4N4O4S2/c18-13-2-1-12(30-13)11-9-24(16-23-22-15(29-16)17(19,20)21)5-6-25(11)14(26)10-3-7-31(27,28)8-4-10/h1-2,10-11H,3-9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NLPAJKFEIXHGQP-UHFFFAOYSA-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