COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK156920
Chemical Name: (2E,5Z)-2-[(4-bromophenyl)imino]-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-thiazolidin-4-one
Smiles: Brc1ccc(cc1)/N=C\1/S/C(=C\c2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)/C(=O)N1

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Molecular Weight: 497.37
Empirical Formula: C22H17BrN4O3S

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 4.928
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 117
Number of rings: 4

     

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