General Information of the Compound
| Compound ID |
CP0527886
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10772893, Example 40
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21N5O2
|
||||||||||||||||||
| Molecular Weight |
339.399
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1cc(nc2c(nccc12)-c1cc[nH]n1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21N5O2/c1-12(2)25-15-11-16(23-7-9-24-10-8-23)21-17-13(15)3-5-19-18(17)14-4-6-20-22-14/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BLVKQRYQNPYIHK-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