martefragin A

AlkaPlorer ID: AK049187

Synonym: '', '200809-93-4', 'Martefragin A'

IUPAC Name: 2-[(1S,3S)-1-(dimethylamino)-3-methylpentyl]-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid

Structure

SMILES: CC[C@H](C)C[C@@H](C1=NC(C(=O)O)=C(C2=CNC3=CC=CC=C23)O1)N(C)C

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InChI: InChI=1S/C20H25N3O3/c1-5-12(2)10-16(23(3)4)19-22-17(20(24)25)18(26-19)14-11-21-15-9-7-6-8-13(14)15/h6-9,11-12,16,21H,5,10H2,1-4H3,(H,24,25)/t12-,16-/m0/s1

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InChIKey: PBQNIVCBQWLBLF-LRDDRELGSA-N

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Properties Information

Molecule Weight: 355.4380000000001

TPSA: 82.35999999999999

MolLogP: 4.560000000000003

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information