COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL363500
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc2c(c1)OCO2)/c1nc2c(s1)cccc2

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Molecular Weight: 306.34
Empirical Formula: C17H10N2O2S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.911
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 4

     

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