General Information of the Compound
| Compound ID |
CP0419699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10781182, Compound IA2-142
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H20ClN3O3
|
||||||||||||||||||
| Molecular Weight |
325.796
|
||||||||||||||||||
| Canonical SMILES |
CCOc1nc2cc(Cl)c(OC)cc2n1CCCNC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H20ClN3O3/c1-4-22-15-18-12-8-11(16)14(21-3)9-13(12)19(15)7-5-6-17-10(2)20/h8-9H,4-7H2,1-3H3,(H,17,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IYSSQVBXXUIIGE-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
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B