COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK762141
Chemical Name: 4-{(4Z)-4-[(5Z)-3-ethyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: COc1ccc2c(c1)n(C)/c(=c\1/s/c(=C\3/C(=NN(C3=O)c3ccc(cc3)C(=O)O)C)/n(c1=O)CC)/s2

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Saltdata: N(Et)3
Molecular Weight: 522.61
Empirical Formula: C25H22N4O5S2

Physical State: Dry powder
Available Amount: 38 mg

Lipinsky:
logP: 1.383
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 153
Number of rings: 5

     

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