Kopsinginol

AlkaPlorer ID: AK100207

Synonym: ''

IUPAC Name: (1R,9R,16R,17S,21R)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7,14-tetraen-17-ol

Structure

SMILES: O[C@H]1C[C@]23CC[C@]14C=CCN1CC[C@@]2(C2=CC=CC=C2N3)[C@@H]14

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InChI: InChI=1S/C19H22N2O/c22-15-12-18-8-7-17(15)6-3-10-21-11-9-19(18,16(17)21)13-4-1-2-5-14(13)20-18/h1-6,15-16,20,22H,7-12H2/t15-,16-,17+,18+,19+/m0/s1

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InChIKey: HWJAYYGEOULNGC-NTZUZEMLSA-N

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Properties Information

Molecule Weight: 294.398

TPSA: 35.5

MolLogP: 2.2776

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information