COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK080447
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxotetrahydrothiophen-3-yl)prop-2-enamide
Smiles: O=C(NC1CCSC1=O)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 291.33
Empirical Formula: C14H13NO4S

Physical State: Dry powder
Available Amount: 394 mg

Lipinsky:
logP: 1.821
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 89
Number of rings: 3

     

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