COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK368312
Chemical Name: (2E,5Z)-3-benzyl-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-[3-methyl-1-(3-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]-1,3-thiazolidin-4-one
Smiles: [O-][N+](=O)c1cccc(c1)N1N=C(/C(=c/2\s/c(=c/3\sc4c(n3C)cccc4)/c(=O)n2Cc2ccccc2)/C1=O)C

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Molecular Weight: 555.64
Empirical Formula: C28H21N5O4S2

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 3.023
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 152
Number of rings: 6

     

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