General Information of the Compound
| Compound ID |
CP0529320
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10668051, Compound Example 74
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17F3N4S
|
||||||||||||||||||
| Molecular Weight |
378.423
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncsc1CNc1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17F3N4S/c1-11-16(26-10-23-11)9-22-13-4-6-14(7-5-13)25-15(12-2-3-12)8-17(24-25)18(19,20)21/h4-8,10,12,22H,2-3,9H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MYWRMJZQVRBGIM-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