COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL476512
Chemical Name: 7-hydroxy-5-methoxy-4-methyl-6-[(2E)-3-methyl-6-oxo-6-(4-phenylpiperazin-1-yl)hex-2-en-1-yl]-2-benzofuran-1(3H)-one
Smiles: COc1c(C/C=C(/CCC(=O)N2CCN(CC2)c2ccccc2)\C)c(O)c2c(c1C)COC2=O

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Molecular Weight: 464.56
Empirical Formula: C27H32N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.138
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 79
Number of rings: 4

     

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