General Information of the Compound
| Compound ID |
CP0567008
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4161913
Show/Hide
|
||||||||||||||||||
| Formula |
C14H19N5O
|
||||||||||||||||||
| Molecular Weight |
273.34
|
||||||||||||||||||
| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc2[nH]nc(N)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H19N5O/c15-9-3-1-8(2-4-9)14(20)17-10-5-6-12-11(7-10)13(16)19-18-12/h5-9H,1-4,15H2,(H,17,20)(H3,16,18,19)/t8-,9-
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJFSDMJVPCGHFC-KYZUINATSA-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 | |||||||||||||||||||
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