COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL522152
Chemical Name: (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]hex-4-enamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CC/C(=C/Cc2c(O)c3C(=O)OCc3c(c2OC)C)/C)/s1

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Molecular Weight: 445.54
Empirical Formula: C22H27N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.616
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 134
Number of rings: 3

     

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