COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK023087
Chemical Name: (2E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]prop-2-enamide
Smiles: C=CCc1cc(/C=C(/C(=O)Nc2nc3c(s2)cccc3)\C#N)cc(c1O)OC

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Molecular Weight: 391.45
Empirical Formula: C21H17N3O3S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.473
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 123
Number of rings: 3

     

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