Hapalindole E; 5'-Epimer

AlkaPlorer ID: AK299999

Synonym: 12-Epihapalindole E

IUPAC Name: 3-(4-chloro-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl)-1H-indole

Structure

SMILES: [C-]#[N+]C1C(C2=CNC3=CC=CC=C23)C(C(=C)C)CC(Cl)C1(C)C=C

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InChI: InChI=1S/C21H23ClN2/c1-6-21(4)18(22)11-15(13(2)3)19(20(21)23-5)16-12-24-17-10-8-7-9-14(16)17/h6-10,12,15,18-20,24H,1-2,11H2,3-4H3

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InChIKey: IJEJDCXOVNHHAX-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 338.88200000000006

TPSA: 20.15

MolLogP: 5.935090000000004

Number of H-Donors: 1

Number of H-Acceptors: 0

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information