COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK323195
Chemical Name: (2E)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
Smiles: O=C(Nc1nc2c(s1)C(=O)CC(C2)(C)C)/C=C/c1ccccc1[N+](=O)[O-]

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Molecular Weight: 371.42
Empirical Formula: C18H17N3O4S

Physical State: Dry powder
Available Amount: 84 mg

Lipinsky:
logP: 4.976
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 133
Number of rings: 3

     

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