Tubastrindole A
AlkaPlorer ID: AK035236
Synonym: '524067-24-1', 'Tubastrindole A', '(-)-Tubastrindole A'
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(Br)=CC=C23)C2=CC=CC=C2N1
InChI: InChI=1S/C28H27BrN8O2/c1-34-23(38)27(36(3)25(34)30)12-17-15-7-5-6-8-19(15)33-22(17)28(24(39)35(2)26(31)37(28)4)21(27)18-13-32-20-11-14(29)9-10-16(18)20/h5-11,13,21,30-33H,12H2,1-4H3/t21-,27-,28+/m0/s1
InChIKey: LVABJUZWHKWSAZ-YNOBPPCASA-N
Source
Properties Information
Molecule Weight: 587.4820000000001
TPSA？: 126.38
MolLogP？: 3.362840000000002
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 7
Activities Information
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