COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046424
Chemical Name: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-oxo-8-[(1,3,3-trimethyl-6-azoniabicyclo[3.2.1]oct-6-yl)methyl]-2H-chromen-7-olate
Smiles: Brc1ccc(cc1)c1csc(n1)c1cc2ccc(c(c2oc1=O)C[NH+]1CC2(CC1CC(C2)(C)C)C)[O-]

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Molecular Weight: 565.53
Empirical Formula: C29H29BrN2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.314
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 6

     

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