COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK294093
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc2c(c1)OCO2)/Sc1nc2c(s1)cccc2

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Molecular Weight: 338.41
Empirical Formula: C17H10N2O2S2

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 5.943
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 108
Number of rings: 4

     

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