General Information of the Compound
| Compound ID |
CP0562365
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266876, 58
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N6OS
|
||||||||||||||||||
| Molecular Weight |
456.575
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2ccccc2n1CC(=O)N1CCN(CC1)c1scnc1-c1nc2ccccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N6OS/c1-17-14-18-6-2-5-9-21(18)31(17)15-22(32)29-10-12-30(13-11-29)25-23(26-16-33-25)24-27-19-7-3-4-8-20(19)28-24/h2-9,14,16H,10-13,15H2,1H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKSLVAGKKSLNDZ-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