COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561574
Chemical Name: (E)-{1-(1,3-benzothiazol-3-ium-2-yl)-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)c1sc2c([nH+]1)cccc2)/[O-]

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Molecular Weight: 468.58
Empirical Formula: C28H24N2O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.428
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 5

     

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