General Information of the Compound
| Compound ID |
CP0554642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9266876, 109
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21N7OS
|
||||||||||||||||||
| Molecular Weight |
443.536
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cn1ncc2ccccc12)N1CCN(CC1)c1scnc1-c1nc2ccccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21N7OS/c31-20(14-30-19-8-4-1-5-16(19)13-25-30)28-9-11-29(12-10-28)23-21(24-15-32-23)22-26-17-6-2-3-7-18(17)27-22/h1-8,13,15H,9-12,14H2,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FDBZJTIFWNJTHR-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