General Information of the Compound
| Compound ID |
CP0527545
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8609647, 52
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21N7O
|
||||||||||||||||||
| Molecular Weight |
339.403
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCC#N)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21N7O/c18-6-8-20-16(25)24-10-2-5-17(24)4-1-9-23(11-17)15-13-3-7-19-14(13)21-12-22-15/h3,7,12H,1-2,4-5,8-11H2,(H,20,25)(H,19,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SZMFRSIFZYFUHP-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