COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL520389
Chemical Name: (4E)-N-[(2E)-5-cyclohexyl-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)C2CCCCC2)\C)c(O)c2c(c1C)COC2=O

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Molecular Weight: 485.6
Empirical Formula: C25H31N3O5S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.612
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 134
Number of rings: 4

     

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