General Information of the Compound
| Compound ID |
CP0462218
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4092101
Show/Hide
|
||||||||||||||||||
| Formula |
C13H18N6O2
|
||||||||||||||||||
| Molecular Weight |
290.327
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1c[nH]c2nc(N)nc(N[C@H]3CC[C@H](O)CC3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H18N6O2/c14-10(21)8-5-16-11-9(8)12(19-13(15)18-11)17-6-1-3-7(20)4-2-6/h5-7,20H,1-4H2,(H2,14,21)(H4,15,16,17,18,19)/t6-,7-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MGGSRUMGOBISBK-LJGSYFOKSA-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