COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK461235
Chemical Name: (2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(3-cyanothiophen-2-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cc2OCOc2cc1Cl)/C(=O)Nc1sccc1C#N

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Molecular Weight: 357.78
Empirical Formula: C16H8ClN3O3S

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 3.941
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 123
Number of rings: 3

     

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