COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541776
Chemical Name: 5,6,7-trihydroxy-8-[3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-3-yl)propyl]-2-phenyl-4H-chromen-4-one
Smiles: CN1CCN(CC1)C(=O)CC(c1c(O)c(O)c(c2c1oc(cc2=O)c1ccccc1)O)c1cscc1

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Molecular Weight: 506.58
Empirical Formula: C27H26N2O6S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.256
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 138
Number of rings: 5

     

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