COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL101946
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(2,4-dichlorobenzyl)sulfanyl]ethyl}prop-2-enamide
Smiles: O=C(/C=C/c1ccc2c(c1)OCO2)NCCSCc1ccc(cc1Cl)Cl

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Molecular Weight: 410.32
Empirical Formula: C19H17Cl2NO3S

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 5.407
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 72
Number of rings: 3

     

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