COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK786459
Chemical Name: 4-[(2S,3S,4R)-6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-chromen-4-yl]-3,5-dimethyl-1H-pyrazole
Smiles: Brc1ccc2c(c1)[C@@H](c1c(C)n[nH]c1C)[C@@H]([C@H](O2)C(Cl)(Cl)Cl)[N+](=O)[O-]

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Molecular Weight: 469.55
Empirical Formula: C15H13BrCl3N3O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.46
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 83
Number of rings: 3

     

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