COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK994999
Chemical Name: methyl4-[(E)-(3-{6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-6-oxohexyl}-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CCCCCC(=O)Nc1nnc(s1)C

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Molecular Weight: 490.63
Empirical Formula: C21H22N4O4S3

Physical State: Dry powder
Available Amount: 51 mg

Lipinsky:
logP: 2.475
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 187
Number of rings: 3

     

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