COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK104850
Chemical Name: (2E)-3-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
Smiles: O=C(Nc1nc2c(s1)C(=O)CC(C2)(C)C)/C=C/c1ccc(cc1)Cl

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Molecular Weight: 360.86
Empirical Formula: C18H17ClN2O2S

Physical State: Dry powder
Available Amount: 281 mg

Lipinsky:
logP: 5.951
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 3

     

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