COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK133401
Chemical Name: (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)Nc2nc3c(s2)C(=O)CC(C3)(C)C)cc(c1OC)OC

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Molecular Weight: 416.5
Empirical Formula: C21H24N2O5S

Physical State: Dry powder
Available Amount: 170 mg

Lipinsky:
logP: 5.016
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 114
Number of rings: 3

     

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