COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK383533
Chemical Name: N-[(4E)-4-[(5Z)-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]acetamide
Smiles: C=CCn1/c(=C\2/C(=NN(C2=O)c2c(Cl)cc(cc2Cl)Cl)NC(=O)C)/s/c(=c/2\sc3c(n2C)cc(cc3)OC)/c1=O

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Molecular Weight: 636.97
Empirical Formula: C26H20Cl3N5O4S2

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 3.445
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 145
Number of rings: 5

     

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