COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548153
Chemical Name: (2E)-3-(3,4-dimethoxyphenyl)-N-{[4-(pyridin-2-yl)piperazin-1-yl]carbonothioyl}prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)NC(=S)N2CCN(CC2)c2ccccn2)ccc1OC

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Molecular Weight: 412.51
Empirical Formula: C21H24N4O3S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 1.882
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 99
Number of rings: 3

     

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