(8S,12S,13S)-12,13-dihydroxy-13-(3-methylimidazol-4-yl)-1-azatricyclo[6.4.2.0²,⁷]tetradeca-2(7),3,5-trien-9-one

AlkaPlorer ID: AK247421

Synonym: None

IUPAC Name: (8S,12S,13S)-12,13-dihydroxy-13-(3-methylimidazol-4-yl)-1-azatricyclo[6.4.2.02,7]tetradeca-2,4,6-trien-9-one

Structure

SMILES: CN1C=NC=C1[C@@]1(O)C[C@@H]2C(=O)CC[C@H](O)N1C1=CC=CC=C12

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InChI: InChI=1S/C17H19N3O3/c1-19-10-18-9-15(19)17(23)8-12-11-4-2-3-5-13(11)20(17)16(22)7-6-14(12)21/h2-5,9-10,12,16,22-23H,6-8H2,1H3/t12-,16-,17-/m0/s1

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InChIKey: KXULKHDBJWRXDY-ZLIFDBKOSA-N

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Properties Information

Molecule Weight: 313.357

TPSA: 78.58999999999999

MolLogP: 1.2403999999999995

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information