COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL520182
Chemical Name: (4E)-N-[(2Z)-5-cyclobutyl-1,3,4-thiadiazol-2(3H)-ylidene]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Smiles: COc1c(C/C=C(/CCC(=O)/N=c\2/[nH]nc(s2)C2CCC2)\C)c(O)c2c(c1C)COC2=O

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Molecular Weight: 457.55
Empirical Formula: C23H27N3O5S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.484
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 134
Number of rings: 4

     

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