COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK902320
Chemical Name: (2E)-1-(1,3-benzodioxol-5-yl)-3-{[4-(methylsulfanyl)phenyl]amino}prop-2-en-1-one
Smiles: CSc1ccc(cc1)N/C=C/C(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 313.38
Empirical Formula: C17H15NO3S

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 2.711
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 72
Number of rings: 3

     

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