General Information of the Compound
| Compound ID |
CP0407403
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3786862
Show/Hide
|
||||||||||||||||||
| Formula |
C11H10N4O
|
||||||||||||||||||
| Molecular Weight |
214.228
|
||||||||||||||||||
| Canonical SMILES |
O=c1c2CCCCc2[nH]c2c(cnn12)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H10N4O/c12-5-7-6-13-15-10(7)14-9-4-2-1-3-8(9)11(15)16/h6,14H,1-4H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XTTNXYOVGZYVFK-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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||