COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL522809
Chemical Name: 6-{(2E)-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-oxohex-2-en-1-yl}-7-hydroxy-5-methoxy-4-methyl-2-benzofuran-1(3H)-one
Smiles: COc1c(C/C=C(/CCC(=O)N2CCN(CC2)c2ccc(cc2)F)\C)c(O)c2c(c1C)COC2=O

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Molecular Weight: 482.55
Empirical Formula: C27H31FN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.224
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 79
Number of rings: 4

     

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