General Information of the Compound
| Compound ID |
CP0753928
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID17386274
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21N5O
|
||||||||||||||||||
| Molecular Weight |
323.4
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)c1ccc(/C=N/Nc2nc3ccccc3[nH]2)c(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21N5O/c1-3-23(4-2)14-10-9-13(17(24)11-14)12-19-22-18-20-15-7-5-6-8-16(15)21-18/h5-12,24H,3-4H2,1-2H3,(H2,20,21,22)/b19-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XQOKEALRIAEASJ-XDHOZWIPSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1