General Information of the Compound
| Compound ID |
CP0816225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID14737384
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N4O
|
||||||||||||||||||
| Molecular Weight |
330.391
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C1C(C#N)=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N4O/c1-11(2)16-15(10-21)19(22)25-20-17(16)18(23-24-20)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,16H,22H2,1-2H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
STGILPZYVPADSY-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2