COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK383509
Chemical Name: (2E,5Z)-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-2-[5-oxo-1-phenyl-3-(phenylamino)-1,5-dihydro-4H-pyrazol-4-ylidene]-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one
Smiles: C=CCn1/c(=C\2/C(=NN(C2=O)c2ccccc2)Nc2ccccc2)/s/c(=c/2\sc3c(n2CC)cc(cc3)OC)/c1=O

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Molecular Weight: 581.72
Empirical Formula: C31H27N5O3S2

Physical State: Dry powder
Available Amount: 92 mg

Lipinsky:
logP: 4.29
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 128
Number of rings: 6

     

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