General Information of the Compound
| Compound ID |
CP0535571
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10668051, Compound Example 37
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17ClFN5OS
|
||||||||||||||||||
| Molecular Weight |
417.897
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnsc1C(=O)Nc1ccc(c(F)c1)-n1nc(C2CC2)c(Cl)c1C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17ClFN5OS/c1-9-18(28-25-23-9)19(27)22-12-6-7-14(13(21)8-12)26-17(11-4-5-11)15(20)16(24-26)10-2-3-10/h6-8,10-11H,2-5H2,1H3,(H,22,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFTNCPFRYIPUHX-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