COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK114729
Chemical Name: (5E)-5-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
Smiles: O=C1S/C(=C/c2cc(n(c2C)c2ccc(cc2)Sc2ccc(cc2)[N+](=O)[O-])C)/C(=O)N1

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Saltdata: HCI
Molecular Weight: 451.53
Empirical Formula: C22H17N3O4S2

Physical State: Dry powder
Available Amount: 352 mg

Lipinsky:
logP: 5.02
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 147
Number of rings: 4

     

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