COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374416
Chemical Name: (2E,5Z)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-[(4-ethoxyphenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
Smiles: CCOc1ccc(cc1)/N=C\1/S/C(=C\c2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)/C(=O)N1CC

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Molecular Weight: 490.58
Empirical Formula: C26H26N4O4S

Physical State: Dry powder
Available Amount: 1338 mg

Lipinsky:
logP: 6.837
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 117
Number of rings: 4

     

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