COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK164893
Chemical Name: dimethyl5-{[(1,3-benzodioxol-5-ylmethyl)carbamothioyl]amino}benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=S)NCc2ccc3c(c2)OCO3)cc(c1)C(=O)OC

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Molecular Weight: 402.43
Empirical Formula: C19H18N2O6S

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 3.457
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 127
Number of rings: 3

     

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