General Information of the Compound
| Compound ID |
CP0161484
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(2-iodo-5-methoxy-1-methyl-4-nitroindol-3-yl)ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H16IN3O4
|
||||||||||||||||||
| Molecular Weight |
417.203
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H16IN3O4/c1-8(19)16-7-6-9-12-10(17(2)14(9)15)4-5-11(22-3)13(12)18(20)21/h4-5H,6-7H2,1-3H3,(H,16,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQHYISIQVCWLMH-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
Protein ID: PT02130, Ribosyldihydronicotinamide dehydrogenase [quinone]