COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK383528
Chemical Name: (2E,5Z)-5-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-2-[3-methyl-1-(3-nitrophenyl)-5-oxo-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)c2cccc(c2)[N+](=O)[O-])C)/s/c(=c/2\sc3c(n2CC)cc(cc3)OC)/c1=O

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Molecular Weight: 549.63
Empirical Formula: C26H23N5O5S2

Physical State: Dry powder
Available Amount: 22 mg

Lipinsky:
logP: 2.447
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 161
Number of rings: 5

     

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