COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455739
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(methylsulfonyl)piperazine-1-carbothioamide
Smiles: COc1cc(CCNC(=S)N2CCN(CC2)S(=O)(=O)C)ccc1OC

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Molecular Weight: 387.52
Empirical Formula: C16H25N3O4S2

Physical State: Dry powder
Available Amount: 490 mg

Lipinsky:
logP: 0.983
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 111
Number of rings: 2

     

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