COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036131
Chemical Name: (5E)-5-(4-methoxybenzylidene)-3-{2-[5-(prop-2-en-1-ylamino)-1,3,4-thiadiazol-2-yl]ethyl}-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCNc1nnc(s1)CCN1C(=S)S/C(=C/c2ccc(cc2)OC)/C1=O

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Molecular Weight: 418.56
Empirical Formula: C18H18N4O2S3

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 2.908
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 152
Number of rings: 3

     

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