COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551941
Chemical Name: 8-acetyl-5,7-dihydroxy-1-(4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Smiles: OC1CS(=O)(=O)CC1n1nc(c2c1C=C1Oc3c(C1(C2=O)C)c(O)c(c(c3C(=O)C)O)C)C

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Molecular Weight: 474.49
Empirical Formula: C22H22N2O8S

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 1.579
Rotatable bonds: 5
H-donors: 3
H-acceptors: 8
PSA: 164
Number of rings: 5

     

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