COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL062575
Chemical Name: (2E)-3-(3,4-dimethoxyphenyl)-N-{[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCCC2)ccc1OC

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Molecular Weight: 475.59
Empirical Formula: C22H25N3O5S2

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 3.895
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 137
Number of rings: 3

     

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