General Information of the Compound
| Compound ID |
CP0572431
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8609647, 74
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24N6O
|
||||||||||||||||||
| Molecular Weight |
352.442
|
||||||||||||||||||
| Canonical SMILES |
O=C(CC#N)N1CCCCCC11CCCN(C1)c1ncnc2[nH]ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24N6O/c20-9-5-16(26)25-12-3-1-2-7-19(25)8-4-11-24(13-19)18-15-6-10-21-17(15)22-14-23-18/h6,10,14H,1-5,7-8,11-13H2,(H,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BTVUGOFZWQHQBI-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