Pleurostyline

AlkaPlorer ID: AK046001

Synonym: '', 'Pleurostyline'

IUPAC Name: (7S,13R)-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione

Structure

SMILES: O=C1C=CC2=CC=CC=C2[C@H]2CCN=C(O)C[C@@H](C3=CC=CC=C3)NCCCCN12

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InChI: InChI=1S/C25H29N3O2/c29-24-18-22(20-9-2-1-3-10-20)26-15-6-7-17-28-23(14-16-27-24)21-11-5-4-8-19(21)12-13-25(28)30/h1-5,8-13,22-23,26H,6-7,14-18H2,(H,27,29)/t22-,23+/m0/s1

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InChIKey: DKCWAFAXQGAJSD-XZOQPEGZSA-N

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Source

Properties Information

Molecule Weight: 403.5260000000001

TPSA: 64.92999999999999

MolLogP: 4.444500000000003

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information