COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK926837
Chemical Name: 2-[(1,3-benzothiazol-2-ylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Smiles: O=C1CC(C)(C)CC(=O)C1=CNc1nc2c(s1)cccc2

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Molecular Weight: 300.38
Empirical Formula: C16H16N2O2S

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 2.838
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 3

     

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