General Information of the Compound
| Compound ID |
CP0457044
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10668051, Compound Example 1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19N5OS
|
||||||||||||||||||
| Molecular Weight |
365.462
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnsc1C(=O)Nc1ccc(cc1)-n1nc(cc1C1CC1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N5OS/c1-11-18(26-23-21-11)19(25)20-14-6-8-15(9-7-14)24-17(13-4-5-13)10-16(22-24)12-2-3-12/h6-10,12-13H,2-5H2,1H3,(H,20,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUFHAWGLGXXRBG-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