COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL520459
Chemical Name: (4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]hex-4-enamide
Smiles: COc1c(C/C=C(/CCC(=O)/N=c\2/[nH]nc(s2)C)\C)c(OC)c2c(c1C)COC2=O

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Molecular Weight: 431.51
Empirical Formula: C21H25N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.122
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 123
Number of rings: 3

     

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