COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK128596
Chemical Name: 2-{2-methoxy-4-[(4-methylpiperazin-1-yl)carbonothioyl]phenoxy}-1-(pyrrolidin-1-yl)ethanone
Smiles: COc1cc(ccc1OCC(=O)N1CCCC1)C(=S)N1CCN(CC1)C

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Molecular Weight: 377.51
Empirical Formula: C19H27N3O3S

Physical State: Dry powder
Available Amount: 246 mg

Lipinsky:
logP: 0.862
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 77
Number of rings: 3

     

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