General Information of the Compound
| Compound ID |
CP0521704
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3104905
Show/Hide
|
||||||||||||||||||
| Formula |
C19H14N6OS
|
||||||||||||||||||
| Molecular Weight |
374.429
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc(CSc2ncccc2C#N)nc2nc(Cc3ccccc3)nn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14N6OS/c20-11-14-7-4-8-21-18(14)27-12-15-10-17(26)25-19(22-15)23-16(24-25)9-13-5-2-1-3-6-13/h1-8,10,26H,9,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
SCIGKGRTWUSJMZ-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 | |||||||||||||||||||
| 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