COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL522151
Chemical Name: (4E)-N-[(2Z)-5-tert-butyl-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)C(C)(C)C)\C)c(O)c2c(c1C)COC2=O

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Molecular Weight: 459.57
Empirical Formula: C23H29N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.781
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 134
Number of rings: 3

     

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