COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK675977
Chemical Name: 4-{(4E)-4-[(5Z)-3-cyclohexyl-5-(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}benzenesulfonicacid
Smiles: Cn1/c(=c\2/s/c(=C/3\C(=NN(C3=O)c3ccc(cc3)S(=O)(=O)O)C)/n(c2=O)C2CCCCC2)/sc2c1cccc2

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Saltdata: Py(5:4)
Molecular Weight: 582.73
Empirical Formula: C27H26N4O5S3

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 1.571
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 169
Number of rings: 6

     

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