COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL520468
Chemical Name: (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-N-[(2Z)-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]hex-4-enamide
Smiles: COc1c(C/C=C(/CCC(=O)/N=c/2\sc3c([nH]2)CCCC3)\C)c(O)c2c(c1C)COC2=O

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Molecular Weight: 456.56
Empirical Formula: C24H28N2O5S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.325
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 122
Number of rings: 4

     

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