Vincadine

AlkaPlorer ID: AK420467

Synonym: None

IUPAC Name: methyl (13S,15S)-15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate

Structure

SMILES: CC[C@]12CCCN(CCC3=C(NC4=CC=CC=C34)[C@@H](C(=O)OC)C1)C2

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InChI: InChI=1S/C21H28N2O2/c1-3-21-10-6-11-23(14-21)12-9-16-15-7-4-5-8-18(15)22-19(16)17(13-21)20(24)25-2/h4-5,7-8,17,22H,3,6,9-14H2,1-2H3/t17-,21-/m0/s1

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InChIKey: JFLTVMWSBAMWAW-UWJYYQICSA-N

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Source

Properties Information

Molecule Weight: 340.4670000000002

TPSA: 45.33

MolLogP: 3.8629000000000016

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information