COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK619355
Chemical Name: (2E)-3-(3,4-dimethoxyphenyl)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbamothioyl}prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)NC(=S)NN2CCCCC2c2cccnc2)ccc1OC

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Molecular Weight: 426.54
Empirical Formula: C22H26N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.498
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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