General Information of the Compound
| Compound ID |
CP0134406
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(5-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H28N4O2
|
||||||||||||||||||
| Molecular Weight |
332.448
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2OC(CNCCCNC3=NCCCN3)CCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H28N4O2/c1-23-16-5-2-6-17-15(16)8-7-14(24-17)13-19-9-3-10-20-18-21-11-4-12-22-18/h2,5-6,14,19H,3-4,7-13H2,1H3,(H2,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LSZJOXDGWZUUFG-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