COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK601249
Chemical Name: dimethyl2-{[(3,6-dimethyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)C1(C)OC(=O)c2c(C1)cc(cc2)C)C(=O)OC

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Molecular Weight: 411.41
Empirical Formula: C22H21NO7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.157
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 108
Number of rings: 3

     

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