COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL145372
Chemical Name: dimethyl2-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}benzene-1,4-dicarboxylate
Smiles: CN(C(=S)Nc1cc(ccc1C(=O)OC)C(=O)OC)CCC#N

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Molecular Weight: 335.38
Empirical Formula: C15H17N3O4S

Physical State: Dry powder
Available Amount: 37 mg

Lipinsky:
logP: 2.41
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 123
Number of rings: 1

     

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