COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK383508
Chemical Name: (2E,5E)-3-ethyl-5-[(2Z)-2-(3-ethyl-6-methoxy-1,3-benzothiazol-2(3H)-ylidene)-1-phenylethylidene]-2-[3-methyl-1-(3-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]-1,3-thiazolidin-4-one
Smiles: COc1ccc2c(c1)s/c(=C\C(=c\1/s/c(=C/3\C(=NN(C3=O)c3cccc(c3)[N+](=O)[O-])C)/n(c1=O)CC)\c1ccccc1)/n2CC

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Molecular Weight: 639.76
Empirical Formula: C33H29N5O5S2

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 4.675
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 161
Number of rings: 6

     

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