COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK620262
Chemical Name: (2E)-N-{[2-(pyridin-3-yl)piperidin-1-yl]carbonothioyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)NC(=S)N2CCCCC2c2cccnc2)cc(c1OC)OC

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Molecular Weight: 441.55
Empirical Formula: C23H27N3O4S

Physical State: Dry powder
Available Amount: 322 mg

Lipinsky:
logP: 2.439
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 105
Number of rings: 3

     

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