COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK689675
Chemical Name: (3Z)-3-[(2S,3S,4S)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-chromen-4-yl]-4-hydroxypent-3-en-2-one
Smiles: Brc1ccc2c(c1)[C@@H](/C(=C(/O)\C)/C(=O)C)[C@@H]([C@H](O2)C(Cl)(Cl)Cl)[N+](=O)[O-]

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Molecular Weight: 473.53
Empirical Formula: C15H13BrCl3NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.638
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 92
Number of rings: 2

     

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