Tubastrindole B

AlkaPlorer ID: AK057323

Synonym: '524067-25-2', '(-)-Tubastrindole B'

IUPAC Name: None

Structure

SMILES: CN1C(=N)N(C)[C@@]2(C1=O)C1=C(C[C@@]3(C(=O)N(C)C(=N)N3C)[C@@H]2C2=CNC3=CC=CC=C23)C2=CC=CC=C2N1

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InChI: InChI=1S/C28H28N8O2/c1-33-23(37)27(35(3)25(33)29)13-17-15-9-6-8-12-20(15)32-22(17)28(24(38)34(2)26(30)36(28)4)21(27)18-14-31-19-11-7-5-10-16(18)19/h5-12,14,21,29-32H,13H2,1-4H3/t21-,27-,28+/m0/s1

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InChIKey: AMPTWLHXXYAHSB-YNOBPPCASA-N

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Properties Information

Molecule Weight: 508.5860000000001

TPSA: 126.38

MolLogP: 2.600340000000002

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information