COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543022
Chemical Name: dimethyl3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate]
Smiles: COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc2c(c1)OCCO2)CC(=O)OC)c1ccc2c(c1)OCCO2

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Molecular Weight: 580.55
Empirical Formula: C30H28O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.503
Rotatable bonds: 12
H-donors: 2
H-acceptors: 12
PSA: 164
Number of rings: 5

     

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