COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455735
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(pyridin-2-yl)piperazine-1-carbothioamide
Smiles: COc1cc(CCNC(=S)N2CCN(CC2)c2ccccn2)ccc1OC

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Molecular Weight: 386.52
Empirical Formula: C20H26N4O2S

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 1.871
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 81
Number of rings: 3

     

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