General Information of the Compound
| Compound ID |
CP0441485
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9862730, Example 132
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16N4OS2
|
||||||||||||||||||
| Molecular Weight |
344.465
|
||||||||||||||||||
| Canonical SMILES |
CSc1nn2cc(nc2s1)-c1nc2cc(ccc2o1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16N4OS2/c1-16(2,3)9-5-6-12-10(7-9)17-13(21-12)11-8-20-14(18-11)23-15(19-20)22-4/h5-8H,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDBHNGANKIXTEV-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