COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL062637
Chemical Name: (2E)-N-{[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl}-3-(thiophen-2-yl)prop-2-enamide
Smiles: S=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)NC(=O)/C=C/c1cccs1

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Molecular Weight: 449.62
Empirical Formula: C20H23N3O3S3

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 5.011
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 147
Number of rings: 3

     

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