COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186582
Chemical Name: (2E,5E)-2-[(3,4-dimethylphenyl)imino]-5-[5-nitro-2-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidin-4-one
Smiles: O=C1N/C(=N\c2ccc(c(c2)C)C)/S/C/1=C/c1cc(ccc1N1CCCC1)[N+](=O)[O-]

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Molecular Weight: 422.51
Empirical Formula: C22H22N4O3S

Available Amount: 0 mg

Lipinsky:
logP: 4.139
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 115
Number of rings: 4

     

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