General Information of the Compound
| Compound ID |
CP0130641
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2322137
Show/Hide
|
||||||||||||||||||
| Formula |
C14H15N3O
|
||||||||||||||||||
| Molecular Weight |
241.294
|
||||||||||||||||||
| Canonical SMILES |
C1CCC(CC1)c1noc2cnc3[nH]ccc3c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H15N3O/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)18-17-13/h6-9H,1-5H2,(H,15,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNRAJFUSWSJXCI-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