COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374670
Chemical Name: methyl4-{[(2E,5Z)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)/N=C\1/S/C(=C\c2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)/C(=O)N1C

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Molecular Weight: 490.54
Empirical Formula: C25H22N4O5S

Physical State: Dry powder
Available Amount: 1265 mg

Lipinsky:
logP: 6.304
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 135
Number of rings: 4

     

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