1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
AlkaPlorer ID: AK008621
Synonym: None
IUPAC Name: 2-(2-oxo-1,3-dihydroindol-3-yl)acetonitrile
Structure
SMILES: C1=CC=C2C(=C1)C(C(=O)N2)CC#N
InChI: InChI=1S/C10H8N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5H2,(H,12,13)
InChIKey: HGYKSFCCBATMSI-UHFFFAOYSA-N
Reference
Synthesis and Antimicrobial Characterization of Half-Calycanthaceous Alkaloid Derivatives
PubChem CID: 98365
CAS: 54744-66-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 172.18699999999995
TPSA？: 52.89
MolLogP？: 1.6359799999999998
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Cytochrome P450 121 | Activity | 0.0 | nm | 10.1016/j.bmcl.2016.05.073 |
| None | No relevant target | solubility | nan | None | 10.1016/j.bmcl.2016.05.073 |