COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455738
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbothioamide
Smiles: COc1cc(CCNC(=S)N2CCN(CC2)C/C=C/c2ccccc2)ccc1OC

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Molecular Weight: 425.6
Empirical Formula: C24H31N3O2S

Physical State: Dry powder
Available Amount: 500 mg

Lipinsky:
logP: 3.703
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 69
Number of rings: 3

     

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