Tegavivint
N-[3,6-bis[[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl]-10-nitrosoanthracen-9-yl]hydroxylamine
Molecular Identity
Tegavivint
N-[3,6-bis[[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl]-10-nitrosoanthracen-9-yl]hydroxylamine
PubChem CID: 46212391
2D Structure
Properties
C28H36N4O6S2
Molecular Formula
588.70
Molecular Weight
g/mol
588.2076
Exact Mass
Da
5
XLogP
Above Lipinski threshold
153
TPSA
May have limited oral absorption
2
H-Bond Donors
10
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=C4C=CC(=CC4=C3N=O)S(=O)(=O)N5CC(CC(C5)C)C)NO)CIsomeric SMILES
SMILES: C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=C4C=CC(=CC4=C3N=O)S(=O)(=O)N5C[C@@H](C[C@@H](C5)C)C)NO)CSynonyms(20)
Tegatrabetan1227637-23-1BC2059TegavivintTegavivint [INN]BC-205918AP231HUPTEGAVIVINT [WHO-DD]CHEMBL3601411SCHEMBL14947676BDBM50108103NSC785527N-[3,6-bis[[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl]-10-nitrosoanthracen-9-yl]hydroxylamineNSC-785527CS-0039507
Data from PubChem (NCBI)
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