COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543748
Chemical Name: dimethyl3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate]
Smiles: COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1cc(OC)c2c(c1)OCCO2)CC(=O)OC)c1cc(OC)c2c(c1)OCCO2

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Molecular Weight: 640.6
Empirical Formula: C32H32O14

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.907
Rotatable bonds: 14
H-donors: 2
H-acceptors: 14
PSA: 182
Number of rings: 5

     

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