General Information of the Compound
| Compound ID |
CP0562366
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266876, 61
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21N7OS
|
||||||||||||||||||
| Molecular Weight |
467.558
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cn1ccc2cccc(C#N)c12)N1CCN(CC1)c1scnc1-c1nc2ccccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21N7OS/c26-14-18-5-3-4-17-8-9-32(23(17)18)15-21(33)30-10-12-31(13-11-30)25-22(27-16-34-25)24-28-19-6-1-2-7-20(19)29-24/h1-9,16H,10-13,15H2,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SANIXHCRLINTJG-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